Molecule Editor

Molecule ID: FYI-1001335 Edit

Molecule Structure SMILES String: CCC(C)C1N2C(=S)S[Zn]2(Cl)OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001335
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.9411    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7287    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5161    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0248    2.8986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843    3.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9111    5.2335    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476    2.7950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0879    1.8582    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1574    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1978    0.0000    0.0000 O   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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001335-3D
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
    1.0158    0.0999   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082   -0.0407    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172    1.1701    0.8564 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5215    1.3367    2.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6663    1.0479    0.8603 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1333   -0.1244    1.5894 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9707   -1.1038    0.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6224   -1.7680   -0.2480 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6885   -1.0477    1.5918 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4129    0.3902    2.7030 Zn  0  0  3  0  0  0  0  0  0  0  0  0
    6.1084   -0.0582    4.8275 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3875    2.0992    2.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    2.2708    1.4071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499    3.3882    0.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799   -0.7750   -0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296    1.0208   -0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175    0.1314    0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153   -0.1323   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870   -0.9780    0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.0848    0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7016    0.4344    2.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297    1.5170    2.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637    2.2209    2.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9721    0.9818   -0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$