Molecule FYI-1000338

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Molecule Summary:

ID: FYI-1000338
SMILES: C1=NC2=C(N1)C(=S)N=C(N2)N

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

Molecule ID: FYI-1000338 Edit

Molecule Structure SMILES String: C1=NC2=C(N1)C(=S)N=C(N2)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1000338
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-1000338-3D
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.2353   -0.1064    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4580   -1.1739    0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2065   -0.6614    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    0.7024    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    1.0565    0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326    1.4534    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9657    3.1241    0.0247 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1825    0.6841   -0.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0775   -0.6143   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9327   -1.3579   -0.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -1.3683   -0.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   -0.1110    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    1.9996    0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -2.3603   -0.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0538   -0.8509    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1995   -2.3086    0.1849 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 12  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 13  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 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

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2022-07-26, 3753👍, 0💬