Molecule FYI-1013128

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A

Molecule Summary:

ID: FYI-1013128
Names:
InChIKey: XGFMDKVFASFXFP-UHFFFAOYSA-N
SMILES: C=CCS(=N)(=O)c2nc1ccccc1s2

Received at FYIcenter.com on: 2024-11-14

Molecule ID: FYI-1013128 Edit

Molecule Structure InChIKey: XGFMDKVFASFXFP-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCS(=N)(=O)c2nc1ccccc1s2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013128
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753    0.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5870    2.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9841    2.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5304    4.0401    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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013128-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.6306   -1.5546    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633   -1.5117    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9120   -1.5049   -0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9051   -0.0099   -0.9596 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.9742    1.2235   -1.0549 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9678   -0.1761    0.0070 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6913   -0.0409   -2.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0182   -1.1459   -3.2121 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6742   -0.8182   -4.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2100   -1.7358   -5.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8567   -1.2705   -6.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9748    0.0955   -6.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4523    1.0278   -5.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8048    0.5498   -4.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0787    1.4302   -3.3540 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9944   -1.5632    0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -1.5838   -0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3958   -1.4967    1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668   -1.5302   -1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937   -2.3582   -0.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5066    1.3755   -0.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1221   -2.8010   -5.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2709   -1.9831   -7.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    0.4448   -7.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5512    2.0936   -5.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1325👍, 0💬