Molecule FYI-1000337

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A

Molecule Summary:

ID: FYI-1000337
SMILES: C1=NC2=C(N1)C(=S)N=CN2

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000337 Edit

Molecule Structure SMILES String: C1=NC2=C(N1)C(=S)N=CN2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000337
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    4.1083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.2789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6157    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000337-3D
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.2888   -0.0860    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246   -1.1607    0.0016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665   -0.6629   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    0.7033   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5492    1.0706   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    1.4491   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    3.1194   -0.0069 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383    0.6721   -0.0056 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0103   -0.6202   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8626   -1.3695   -0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3712   -0.0775    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9054    2.0178   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9182   -1.2470   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8715   -2.3798   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1922👍, 0💬