Molecule FYI-1008641

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A

Molecule Summary:

ID: FYI-1008641
Names:
InChIKey: ORNMLUKRAAPAJU-UHFFFAOYSA-N
SMILES: C=C(Cl)CSc1nc(=O)cc(N)[nH]1

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

Molecule ID: FYI-1008641 Edit

Molecule Structure InChIKey: ORNMLUKRAAPAJU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(Cl)CSc1nc(=O)cc(N)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008641
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   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  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
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008641-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    4.4951    1.1594    0.4155 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2311   -0.5888    0.9782 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3624    2.5300   -0.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -1.2270    0.3330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    1.0666    0.2735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4614   -2.0561   -0.2112 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -0.1821    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5796   -1.0189   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572    0.2550   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1286    0.0647   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824    1.3824   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027   -0.1476   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511   -1.2377   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9892   -2.1848    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -0.4438   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9072    1.1296   -0.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637    0.5132   -0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4152   -1.8793   -0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1462   -3.0004   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3259   -1.3422   -0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163   -2.0569   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1887👍, 0💬