Mol:COX00095

3913 
  CDK    9/16/09,17:15 
 
 26 28  0  0  0  0  0  0  0  0999 V2000 
    7.4851   -0.8047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5388    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5878   -0.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5878    0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4851    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5388   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0687   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8400    1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0508    1.1190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7185   -0.5524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0224    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2340    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5295   -0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5295    0.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8100   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8100    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1900   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1900    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3800   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  1  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  6  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  7  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4 15  1  0  0  0  0 
  4 16  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 17  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 22  1  0  0  0  0 
 11 13  2  0  0  0  0 
 11 23  1  0  0  0  0 
 12 14  2  0  0  0  0 
 12 24  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 25  1  0  0  0  0 
 14 26  1  0  0  0  0 
S  SKP  6 
NAME	Tetramisole 
ID	COX00095 
FORMULA	C11H12N2S 
EXACTMASS	204.072119084 
AVERAGEMASS	204.29246000000003 
SMILES	[H]c(c([H])3)c([H])c([H])c(c([H])3)C([H])(N=2)C([H])([H])N(C12)C([H])([H])C([H])([H])S1 
M  END