Molecule Editor

Molecule ID: FYI-1003655 Edit

Molecule Structure InChIKey: LRAAZMNBUIISTO-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1n[nH]cc1c2cc(C(F)(F)F)ccc2Oc4cc(F)c(S(=O)(=O)Nc3nncs3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003655
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    5.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2118    7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0545    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    7.5669    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.1421    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4830    4.9620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8524    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6157    6.9237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5044    1.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3370    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7697    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    1.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 11 28  1  0  0  0  0
 11 25  2  0  0  0  0
  4 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 24 30  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003655-3D
FYIcenter.com

 45 48  0     0  0  0  0  0  0999 V2000
   -1.3095    0.8217   -3.5752 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840    1.2102    0.6290 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6062   -2.7872    1.5277 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    1.4433    2.1845 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -4.2679    0.0962 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581   -2.9942   -0.1213 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3685   -3.0244    1.7536 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    1.1047   -1.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7623    2.2885    1.6073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6159    1.2099   -0.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7961   -0.2874    1.4733 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585    3.6465    0.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8193    3.9804   -0.3684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055    1.8739    2.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7103   -1.6779   -0.5014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608   -2.9086   -0.9467 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439    0.4266   -0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.1221   -1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    1.7924   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0550    1.1788    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6669   -0.6001    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154   -1.9310   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4554    1.1268   -1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173   -1.2089   -1.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1405   -2.2353   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8428    1.0311   -1.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9676    1.3006    0.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5430    1.0052   -1.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678    1.2745    0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4064    2.3471    1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    2.8438   -0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1958   -3.0291    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4335   -1.4889    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6664   -3.5872    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5899   -0.3765    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4121   -1.4677   -1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8498   -3.2652   -0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6814    0.9324   -2.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1643    1.3807    1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639    2.8334   -2.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5770   -0.2847    2.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9702    4.3574    1.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4848    2.4528    3.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0385    0.9143    2.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480   -4.5717   -0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 27  1  0  0  0  0
  5 32  1  0  0  0  0
  6 32  1  0  0  0  0
  7 32  1  0  0  0  0
  8 18  1  0  0  0  0
  8 23  1  0  0  0  0
 11 33  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 42  1  0  0  0  0
 13 31  2  0  0  0  0
 14 30  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  2  0  0  0  0
 16 34  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 24  1  0  0  0  0
 19 30  2  0  0  0  0
 19 31  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 25  1  0  0  0  0
 22 32  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 25  2  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 28  2  0  0  0  0
 26 38  1  0  0  0  0
 27 29  1  0  0  0  0
 29 39  1  0  0  0  0
 31 40  1  0  0  0  0
 34 45  1  0  0  0  0
M  END
$$$$