Molecule FYI-1006346

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A

Molecule Summary:

ID: FYI-1006346
Names:
InChIKey: GQLRSNIEAJGSLD-SOFGYWHQSA-N
SMILES: C/C(C=O)=N\\Nc1ccsc1

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006346 Edit

Molecule Structure InChIKey: GQLRSNIEAJGSLD-SOFGYWHQSA-N

Molecule Structure SMILES String: C/C(C=O)=N\Nc1ccsc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006346
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.2157    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.7722    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    1.8736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4817    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8132    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8536    0.8653    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  4  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006346-3D
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.8587    0.1213    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    0.0815    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1168    1.0559   -0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    1.8433   -1.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908   -0.7169    0.9009 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651   -1.6804    1.6379 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1853   -2.5229    2.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4348   -2.2001    3.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9472   -3.2499    3.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9253   -4.6221    3.7122 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -3.8033    2.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    0.9171   -0.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4742    0.2972    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762   -0.8318   -0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.9711   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5627   -2.0187    1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295   -1.2419    2.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8741   -3.2790    4.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -4.3204    2.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2023-12-29, 272👍, 0💬