Molecule Editor

Molecule ID: FYI-1008735 Edit

Molecule Structure InChIKey: YRNZXUTWXCHAEV-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)/C=C(N)\N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008735
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   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
    1.2124    2.1000    0.0000 N   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008735-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
    0.8590    1.3336   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9228   -0.7258    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9160    1.2368    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871   -0.9648   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634   -0.6650    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009   -0.1188    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694   -0.2043   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -1.7491    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8062   -1.7345   -0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5306    0.0818   -1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -0.9860    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3352    0.6704    0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1389    1.8845    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8675    1.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -1.9689   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7176   -0.5667   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$