Molecule FYI-1014326

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A

Molecule Summary:

ID: FYI-1014326
Names:
InChIKey: QIOKDHLEWQMZFX-UHFFFAOYSA-N
SMILES: C1SCc2nos3onc1c23

Received at FYIcenter.com on: 2025-04-01

Molecule ID: FYI-1014326 Edit

Molecule Structure InChIKey: QIOKDHLEWQMZFX-UHFFFAOYSA-N

Molecule Structure SMILES String: C1SCc2nos3onc1c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014326
FYIcenter.com

 11 13  0  0  0  0  0  0  0  0999 V2000
    1.8045    2.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2235    3.8075    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266    4.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    3.8075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487    2.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9014    1.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9983    2.5180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    3.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  1  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014326-3D
FYIcenter.com

 15 17  0     0  0  0  0  0  0999 V2000
    1.8968   -0.0001    0.6437 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6391    0.0000   -0.5635 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446    1.2697   -0.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444   -1.2698   -0.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    2.0231   -0.3407 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -2.0232   -0.3408 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1790    0.0001    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    1.2739    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -1.2739    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104    1.4479    0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8105   -1.4477    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1139    1.4918    1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1169    2.3671   -0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170   -2.3670   -0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1140   -1.4914    1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  7  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
$$$$

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2025-04-11, 790👍, 0💬