Molecule FYI-1001274

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Molecule Summary:

ID: FYI-1001274
SMILES: CCC[S@](=O)c1ccc2[nH]/c(=N\\C(=O)OC)[nH]c2c1

Received at FYIcenter.com on: 2022-04-22

Molecule ID: FYI-1001274 Edit

Molecule Structure SMILES String: CCC[S@](=O)c1ccc2[nH]/c(=NC(=O)OC)[nH]c2c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001274
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    6.0406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    3.6373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037    8.3150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5711    6.3533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.8497    0.0000 C   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  6  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
 19  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001274-3D
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 19  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 18  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  3  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 2219👍, 0💬