Molecule Editor

Molecule ID: FYI-1004923 Edit

Molecule Structure InChIKey: HLFXUPRDHXGSRF-HMIIVJTLSA-J

Molecule Structure SMILES String: Cc8cc(C)nc(NS(=O)(=O)c7ccc([N+]2=Cc1cc(I)cc(I)c1O[Ni]24(O)(O)Oc3c(I)cc(I)cc3C=[N+]4c6ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc6)cc7)n8

Download SDF Download SVG Structure in 2D SDF:

FYI-1004923
FYIcenter.com

 61 68  0  0  0  0  0  0  0  0999 V2000
    5.3119    2.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054    3.4671    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2064    4.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4074    3.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    4.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5360    6.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.0106    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4127    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6138    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8148    5.5474    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   15.6138    7.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4127    8.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1564    9.8601    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116    7.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0106    8.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8096    7.6277    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
   10.8096    9.0146    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.0106    9.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116    9.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6423    9.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4127   11.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6138   11.7883    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.8148   11.0949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0158   11.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2169   11.0949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4180   11.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6190   11.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4180   13.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2169   13.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2169   15.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0158   13.1752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3072   12.9893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9204   12.9893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2116   11.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0106   11.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    9.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0107    5.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750    6.2442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5294    6.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4074    7.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4074    9.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2064    9.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054    9.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    9.7080    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054    7.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2064    6.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1149    5.8488    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.4074    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613    5.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042    4.1606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    3.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022    4.1606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    3.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022    1.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    2.0803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6988    2.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  2  0  0  0  0
 33 26  1  0  0  0  0
 34 24  2  0  0  0  0
 35 24  2  0  0  0  0
 36 23  1  0  0  0  0
 37 36  2  0  0  0  0
 37 20  1  0  0  0  0
 38 19  2  0  0  0  0
 39 18  1  0  0  0  0
 40 18  1  0  0  0  0
 41 18  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 43 38  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 45  1  0  0  0  0
 48 47  2  0  0  0  0
 48 42  1  0  0  0  0
 49 48  1  0  0  0  0
 50  6  1  0  0  0  0
 51 50  2  0  0  0  0
 51  3  1  0  0  0  0
 52  2  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 57 55  2  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 58  2  0  0  0  0
 60 53  1  0  0  0  0
 61  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004923-3D
FYIcenter.com

 93100  0  0  0  0  0  0  0  0999 V2000
    5.4473    0.2685    2.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5791   -1.0614    1.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4707   -2.0644    2.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932   -3.2749    1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932   -4.4089    1.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6824   -3.4198    0.3615 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446   -2.4139   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9434   -2.5605   -1.0736 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768   -3.0700   -0.5690 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940   -2.5524    0.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192   -2.2796   -1.3471 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345   -4.7845   -0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660   -5.8094   -0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7077   -7.1478   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4264   -7.3775   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459   -8.5330    0.6325 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8533   -9.2907    1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633  -10.3240    2.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559  -11.2667    2.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030  -12.2679    3.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800  -13.7320    3.7966 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715  -12.3037    4.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955  -11.3279    3.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377  -11.4160    4.8580 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439  -10.3292    2.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609   -9.3575    2.5936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9642   -8.7586    0.8361 Ni  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7294   -9.0010    1.0634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4362   -7.3224    1.8038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904  -10.3936    0.0825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2430  -10.5530   -0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945  -11.5834   -0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9376  -13.2609    0.4447 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.3668  -11.4673   -1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5286  -10.3974   -2.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594  -10.0914   -3.4628 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -9.4985   -2.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3456   -9.5740   -1.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127   -8.5857   -1.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3782   -8.1440   -0.9676 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4113   -7.1280   -1.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1968   -7.1798   -2.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2130   -6.2432   -2.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4677   -5.2226   -1.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7436   -3.9951   -1.9754 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1947   -2.5630   -2.0518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4638   -4.1487   -3.3228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0249   -3.9476   -0.7729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6950   -4.3456    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3082   -3.4173    1.4552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9881   -3.7716    2.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6142   -2.7130    3.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0223   -5.1207    3.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4038   -6.0706    2.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4367   -7.5331    2.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7452   -5.6598    0.8933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -5.1455   -0.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287   -6.0693   -0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5753   -6.3401    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8909   -5.0761   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837   -1.2785    0.6986 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1407    0.3963    3.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3955    0.3928    2.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6539    1.0409    1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1188   -1.9107    3.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0144   -4.1472    2.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0676   -4.6680    1.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7868   -5.3048    2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -3.0232   -1.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575   -5.5864   -1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4259   -7.9473   -0.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184   -9.1070    1.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5114  -11.2462    1.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787  -13.0885    4.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9449   -9.0797    2.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6809   -7.0742    2.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659  -12.1832   -1.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -8.6831   -3.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8552   -8.1559   -2.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522   -7.9622   -3.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8017   -6.3172   -3.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9048   -4.3275   -1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6532   -1.7110    3.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5873   -2.8888    4.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3311   -2.7248    4.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7593   -5.4204    4.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1359   -7.7258    3.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7350   -8.0773    1.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4619   -7.9287    2.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8947   -4.3577    0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2607   -5.8281    0.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -6.4329    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1467   -4.3258    0.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 62  1  0  0  0  0
  1 63  1  0  0  0  0
  1 64  1  0  0  0  0
  2  3  1  0  0  0  0
  2 61  2  0  0  0  0
  3  4  2  0  0  0  0
  3 65  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 66  1  0  0  0  0
  5 67  1  0  0  0  0
  5 68  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 61  1  0  0  0  0
  8  9  1  0  0  0  0
  8 69  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 60  2  0  0  0  0
 13 14  2  0  0  0  0
 13 70  1  0  0  0  0
 14 15  1  0  0  0  0
 14 71  1  0  0  0  0
 15 16  1  0  0  0  0
 15 59  2  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 72  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
 19 73  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 74  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 40  1  0  0  0  0
 28 75  1  0  0  0  0
 29 76  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 38  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 77  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 78  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 79  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 58  2  0  0  0  0
 42 43  2  0  0  0  0
 42 80  1  0  0  0  0
 43 44  1  0  0  0  0
 43 81  1  0  0  0  0
 44 45  1  0  0  0  0
 44 57  2  0  0  0  0
 45 46  2  0  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 82  1  0  0  0  0
 49 50  1  0  0  0  0
 49 56  2  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 52 83  1  0  0  0  0
 52 84  1  0  0  0  0
 52 85  1  0  0  0  0
 53 54  2  0  0  0  0
 53 86  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 87  1  0  0  0  0
 55 88  1  0  0  0  0
 55 89  1  0  0  0  0
 57 58  1  0  0  0  0
 57 90  1  0  0  0  0
 58 91  1  0  0  0  0
 59 60  1  0  0  0  0
 59 92  1  0  0  0  0
 60 93  1  0  0  0  0
M  END
$$$$