Molecule Editor

Molecule ID: FYI-1012441 Edit

Molecule Structure InChIKey: KGCFEIOSUCQAHB-WKULSOCRSA-N

Molecule Structure SMILES String: Cc4nn(Cc2nnc(SCC(=O)c1ccc(Cl)cc1)n2c3ccccc3)c(=O)n4/N=C/c5ccccc5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012441
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
   15.3927    0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3927    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6051    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6051    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3927    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9679    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7554    3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5430    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2641    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8749    0.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2064    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2468    1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9730    4.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 21 20  1  0  0  0  0
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 39 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012441-3D
FYIcenter.com

 61 65  0  0  0  0  0  0  0  0999 V2000
    2.3598   -0.1447    3.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281   -0.4890    2.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0056   -1.4569    1.5119 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4606   -2.1379    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9118   -3.5228    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2286   -3.9013   -0.8946 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7700   -5.1660   -0.6991 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1823   -5.5660    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8583   -7.1671    1.0892 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052   -8.1044   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8848   -8.3268   -0.7925 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919   -8.5493   -2.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506   -8.7598   -3.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781   -8.9669   -4.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413   -8.9762   -5.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6815   -8.7915   -4.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554   -8.5796   -3.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$