Molecule FYI-1007627

A

Molecule Summary:

ID: FYI-1007627
Names:
InChIKey: VRVJCYXJYKDOLE-ZIBATOQPSA-N
SMILES: O=C(CSCc1c(Cl)cccc1Cl)NNC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3

Received at FYIcenter.com on: 2024-03-06

Molecule ID: FYI-1007627 Edit

Molecule Structure InChIKey: VRVJCYXJYKDOLE-ZIBATOQPSA-N

Molecule Structure SMILES String: O=C(CSCc1c(Cl)cccc1Cl)NNC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007627
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
    8.4118    4.8967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118    3.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5914    2.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7707    3.5349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9501    2.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1295    3.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3090    2.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3090    1.4921    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.4884    3.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4884    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3090    5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1295    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9501    5.5777    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2325    2.8539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    3.5349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    1.4921    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    3.5349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5148    2.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708    3.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3725    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  1  0  0  0
 20 19  1  0  0  0  0
 21 20  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  1  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-03-17, 972👍, 0💬