Molecule Editor

Molecule ID: FYI-1005651 Edit

Molecule Structure InChIKey: GOHKSPFGBCZDPA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1cccs1)C6C3c2cccc(Br)c2C=CN3C(C(=O)c4cccs4)C7c5cccc(Br)c5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005651
FYIcenter.com

 38 44  0  0  0  0  0  0  0  0999 V2000
    8.2780   11.2001    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0656   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0695    4.9077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7694    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7062    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0062    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6368    6.2923    0.0000 S   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
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 14 13  1  0  0  0  0
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 13  1  0  0  0  0
 24 23  1  0  0  0  0
 24  6  1  0  0  0  0
 24 10  1  0  0  0  0
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 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 38 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005651-3D
FYIcenter.com

 58 64  0  0  1  0  0  0  0  0999 V2000
    2.6054   -0.8498   -1.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903   -0.0783   -0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2275    0.9114   -0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715    1.0805   -1.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5432    2.0695   -1.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160    2.6508   -0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7358    2.0165    0.5932 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694   -0.2069    0.9327 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6534   -1.6359    1.4993 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2056   -1.9582    1.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -2.6839    0.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -3.0212    1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4537   -2.6003    2.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7090   -1.8950    3.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178   -1.3995    4.8629 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6478   -1.6088    3.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8959   -1.2207    3.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442   -1.7645    2.7527 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9217   -1.8793    2.4555 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$