HMDB0034300
     RDKit          3D
5-Isothiocyanato-1-pentene
 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.8397    1.1061    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    0.1770    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -0.4016   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3717   -0.1877    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557   -0.8200   -0.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -0.6748    0.3525 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6643    0.0474   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4427    1.4554   -0.3807 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6868    1.5707    0.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6285    1.4500   -0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -0.1409    1.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0873   -1.5189   -0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0275   -1.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -0.6464    1.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    0.8934    0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818   -0.3697   -1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2628   -1.9126   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
M  END