Molecule FYI-1014315

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A

Molecule Summary:

ID: FYI-1014315
Names:
InChIKey: WHZPQBNNIYVXPP-UHFFFAOYSA-N
SMILES: CNC(=O)c2sc(n1ccccc1=O)nc2C

Received at FYIcenter.com on: 2025-03-30

Molecule ID: FYI-1014315 Edit

Molecule Structure InChIKey: WHZPQBNNIYVXPP-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c2sc(n1ccccc1=O)nc2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014315
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.1139    6.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9015    5.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6890    6.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6890    7.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    5.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977    5.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    7.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2608    4.9548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608    3.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3303    4.0335    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    2.4628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970    2.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183    1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    0.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6409    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3032    0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014315-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.4144   -0.1463    2.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159   -0.0599    2.4084 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009    0.3626    1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5507    0.6834    0.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    0.4064    1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7284   -0.1418    2.3786 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1493    0.2764    1.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3939    0.1194    2.1512 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4225    0.8932    1.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6436    0.8858    2.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9144    0.0492    3.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9562   -0.7327    3.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5896   -0.7515    3.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7910   -1.5429    3.7283 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    0.8254    0.3492 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5636    0.8513    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1256    1.3595   -1.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3064   -0.4620    3.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -0.8779    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515    0.8328    2.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871   -0.3207    3.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2035    1.5360    0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4405    1.5128    1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9083    0.0632    3.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1161   -1.3851    4.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    1.6654   -1.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660    2.2253   -1.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5895    0.5792   -1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

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2025-04-11, 780👍, 0💬