Molecule FYI-1005651

A

Molecule Summary:

ID: FYI-1005651
Names:
InChIKey: GOHKSPFGBCZDPA-UHFFFAOYSA-N
SMILES: O=C(c1cccs1)C6C3c2cccc(Br)c2C=CN3C(C(=O)c4cccs4)C7c5cccc(Br)c5C=CN67

Received at FYIcenter.com on: 2023-11-08

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
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    3.4282    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 24 23  1  0  0  0  0
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 36 35  1  0  0  0  0
 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
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    0.4571   -2.6839    0.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
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 19 20  1  0  0  0  0
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 20 28  1  0  0  0  0
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 37 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1941👍, 0💬