Molecule Editor

Molecule ID: FYI-1004926 Edit

Molecule Structure InChIKey: BTAPZOFCJXIWQJ-HMIIVJTLSA-J

Molecule Structure SMILES String: Cc8cc(C)nc(NS(=O)(=O)c7ccc([N+]2=Cc1cc(I)cc(I)c1O[Co]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-1004926
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 Co  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-1004926-3D
FYIcenter.com

 93100  0  0  0  0  0  0  0  0999 V2000
    5.4375    0.3923    2.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5466   -0.9636    1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4376   -1.9560    1.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4340   -3.1967    1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3358   -4.3182    1.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5963   -3.3809    0.1678 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600   -2.3809   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8258   -2.5557   -1.2588 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752   -3.0596   -0.6978 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246   -2.4885    0.7288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954   -2.3073   -1.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0635   -4.7763   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178   -5.7810   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151   -7.1220   -0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561   -7.3662   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222   -8.5153    0.6543 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9157   -9.2669    1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072  -10.3117    2.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5922  -11.2699    2.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435  -12.2688    3.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8114  -13.7474    3.7711 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.1216  -12.2922    4.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518  -11.3064    3.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6654  -11.3795    4.9142 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917  -10.3087    2.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174   -9.3307    2.6373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573   -8.7337    0.8663 Co  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7804   -8.9783    1.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660   -7.2707    1.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849  -10.4185    0.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356  -10.5520   -0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953  -11.5740   -0.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670  -13.2538    0.4307 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512  -11.4511   -1.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884  -10.3793   -2.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956  -10.0717   -3.5442 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.4320   -9.4840   -2.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090   -9.5671   -1.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608   -8.5812   -1.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -8.1211   -0.9508 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4217   -7.0884   -1.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259   -7.1297   -2.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249   -6.1721   -2.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4438   -5.1408   -1.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6956   -3.8862   -1.9287 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1180   -2.4647   -1.9991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4230   -4.0164   -3.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9708   -3.8221   -0.7226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5922   -3.5866    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5639   -2.3188    1.1034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2298   -2.0671    2.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2640   -0.6619    2.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8719   -3.1266    3.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8871   -4.4283    2.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4890   -5.6042    3.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2652   -4.6293    1.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6746   -5.0757   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6991   -6.0220   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805   -6.3586    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8443   -5.0913   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7273   -1.2171    0.4327 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1491    0.5471    2.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3937    0.5376    2.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6328    1.1313    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043   -1.7709    2.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9775   -4.0210    2.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9922   -4.6194    0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7308   -5.1975    1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027   -3.0015   -2.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -5.5334   -1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438   -7.9098   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9755   -9.1096    1.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419  -11.2611    1.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319  -13.0750    4.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506   -9.0934    2.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7063   -7.0246    2.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1556  -12.1644   -1.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242   -8.6681   -3.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9127   -8.1560   -2.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088   -7.9188   -3.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8278   -6.2381   -3.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6451   -4.5854   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5820    0.0318    2.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2597   -0.3586    3.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9946   -0.5870    3.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5914   -2.9408    4.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2058   -5.2965    4.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6156   -6.1109    3.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3316   -6.3232    3.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8222   -4.2806    0.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019   -5.7994    0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3097   -6.5147    0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885   -4.3611    0.1176 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
$$$$