Molecule FYI-1014859

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Molecule Summary:

ID: FYI-1014859
Names:
InChIKey: AFMIFWUUCHCHNN-BYPYZUCNSA-N
SMILES: O=C(S)[C@@H]1CCCN1

Received at FYIcenter.com on: 2025-05-30

Molecule ID: FYI-1014859 Edit

Molecule Structure InChIKey: AFMIFWUUCHCHNN-BYPYZUCNSA-N

Molecule Structure SMILES String: O=C(S)[C@@H]1CCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014859
FYIcenter.com

  8  8  0  0  1  0  0  0  0  0999 V2000
    2.5713    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 S   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  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014859-3D
FYIcenter.com

 17 17  0     1  0  0  0  0  0999 V2000
    2.7701   -0.6689    0.1180 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    1.2405   -0.7504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277    0.6921    0.9923 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925   -0.3854    0.6292 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7028   -1.3166   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0321   -0.6083   -0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    0.8295   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650    0.2171   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187   -0.8941    1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8758   -2.2887    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986   -1.4967   -1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3725   -0.6993   -1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8017   -1.0461    0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307    1.3919   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826    1.3397    0.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3438    1.5666    1.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5339    0.1427   -0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1077👍, 0💬