Molecule FYI-1002365

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A

Molecule Summary:

ID: FYI-1002365
Names:
InChIKey: PMRYVIKBURPHAH-UHFFFAOYSA-N
SMILES: Cn1cc[nH]c1=S

Received at FYIcenter.com on: 2023-03-08

Molecule ID: FYI-1002365 Edit

Molecule Structure InChIKey: PMRYVIKBURPHAH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1cc[nH]c1=S

Download SDF Download SVG Structure in 2D SDF:

FYI-1002365
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.8205    4.0695    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    1.9772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    0.4071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4389    2.0808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5425    0.1036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5654    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    5.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002365-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -2.0872   -1.0885    0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0884    0.7594   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146   -1.3473   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395   -0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2767    0.8204   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    1.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6878   -0.4918    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223    1.7539   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5790    1.8834    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621    2.8227   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    1.8834   -0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020   -0.8639    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195    0.0922    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

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2023-04-04, 624👍, 0💬