Molecule FYI-1008617

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A

Molecule Summary:

ID: FYI-1008617
Names:
InChIKey: RAFAYWADRVMWFA-UHFFFAOYSA-N
SMILES: Cc1cc(C)[nH]c(=S)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008617 Edit

Molecule Structure InChIKey: RAFAYWADRVMWFA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C)[nH]c(=S)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008617
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008617-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    3.0393    0.0030   -0.0005 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.2055    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577   -1.2043    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6935    1.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910   -1.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272   -0.0014    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4016    2.4803   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -2.4829   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2578    0.0012    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103   -0.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0297    2.5744    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890    3.3116   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0295    2.5741   -0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -3.3130   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246   -2.5783    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243   -2.5780   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1773    1.3368   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

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2024-06-03, 189👍, 0💬