Molecule Editor

Molecule ID: FYI-1000321 Edit

Molecule Structure SMILES String: C[C@H](/N=C(/c1ccccc1)SC)n2c3ccccc3nn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000321
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    3.6372    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.1948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5574    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4310    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0615    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    1.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  1  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000321-3D
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  1  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  6  0  0  0
  4 11  1  1  0  0  0
  5 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$