Molecule Editor

Molecule ID: FYI-1015752 Edit

Molecule Structure InChIKey: WKXCZMFWXZRMEZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1csc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015752
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.3588    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    0.1306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.1710    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
    3.2976    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015752-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
   -0.8511    1.4783    0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.9640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528   -0.6571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3554   -0.7152   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1028   -0.1377   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0887   -0.2212    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8438    1.2169   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412    2.0430   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1893   -0.0811    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5187   -1.6587    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667   -0.1059    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399   -1.7129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$