Molecule FYI-1013348

A

Molecule Summary:

ID: FYI-1013348
Names:
InChIKey: HFSSFAOMPOPLGD-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3

Received at FYIcenter.com on: 2024-12-10

Molecule ID: FYI-1013348 Edit

Molecule Structure InChIKey: HFSSFAOMPOPLGD-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)c3ccc(NC(=O)CCc2nc1ccccc1[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013348
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7152    4.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    6.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    6.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  1  0  0  0  0
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 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013348-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.7958   -0.1704   -0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268   -0.1377    0.2916 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3984    0.8001   -0.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9325   -1.5125    0.5555 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8972    0.5610    1.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    1.9428    1.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    2.5062    3.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7924    1.6998    4.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2689    2.2088    5.4371 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3053    3.5301    5.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9682    4.5056    5.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    3.7288    7.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488    3.2581    8.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5835    1.7880    8.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391    0.7667    8.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5546   -0.3642    8.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219   -1.7287    8.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825   -2.6568    8.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -2.2393    8.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439   -0.8966    8.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2915   -0.0017    8.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.3525    8.8258 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8162    0.3100    4.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2079    3.5837    9.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057   -2.0643    7.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3843   -1.3467    2.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5 24  2  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
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 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
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 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
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 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

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2024-12-18, 882👍, 0💬