Molecule Editor

Molecule ID: FYI-1003611 Edit

Molecule Structure InChIKey: LDRZWGWBOYORGD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3nncs3)cc4C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003611
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
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    8.5263    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3138    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7387    6.3544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9512    7.0544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1636    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6793    4.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  2  9  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 26 30  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003611-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
   -4.1185   -4.1117   -1.6385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8485    1.9545   -0.9478 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -2.2220   -1.5992 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323    0.1982    1.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    2.9392   -1.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7304    2.3244    0.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4852   -0.8739 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4428    0.5275   -1.7089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8900    2.6377   -0.5092 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8159   -0.6950    0.3421 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0045   -0.7991    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194    1.4320   -0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0382    0.4891    1.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565    1.5410   -1.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9259   -1.6031   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 44  1  0  0  0  0
M  END
$$$$