
 SK&F-106686

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.7721   -0.6992   -1.4988 C   0  0  0  0  0
    2.5020   -0.0801   -0.1351 C   0  0  0  0  0
    2.9679    1.3475   -0.0661 C   0  0  0  0  0
    2.2943    2.5043   -0.4281 C   0  0  0  0  0
    0.9492    2.5662   -1.1033 C   0  0  0  0  0
   -0.0681    3.2283   -0.2792 N   0  0  0  0  0
    0.2658    4.5903    0.1857 C   0  0  0  0  0
    1.2771    5.4303   -0.6291 C   0  0  0  0  0
    2.7127    5.0657   -0.2997 C   0  0  0  0  0
    3.7119    6.0423   -0.1000 C   0  0  0  0  0
    4.9976    5.6904    0.3013 C   0  0  0  0  0
    5.3349    4.3569    0.5235 C   0  0  0  0  0
    4.3635    3.3710    0.2863 C   0  0  0  0  0
    3.0831    3.6930   -0.1595 C   0  0  0  0  0
    4.5449    1.6787    0.4987 S   0  0  0  0  0
    3.4042    7.7296   -0.3342 Cl  0  0  0  0  0
   -1.3472    3.2270   -0.9937 C   0  0  0  0  0
    2.4112   -1.7322   -1.5227 H   0  0  0  0  0
    3.8435   -0.7097   -1.7253 H   0  0  0  0  0
    2.2667   -0.1451   -2.2966 H   0  0  0  0  0
    2.9931   -0.6826    0.6392 H   0  0  0  0  0
    1.4283   -0.1285    0.0824 H   0  0  0  0  0
    1.0632    3.0603   -2.0775 H   0  0  0  0  0
    0.6126    1.5468   -1.3262 H   0  0  0  0  0
    0.6291    4.4991    1.2188 H   0  0  0  0  0
   -0.6567    5.1801    0.2785 H   0  0  0  0  0
    1.0803    6.4746   -0.3659 H   0  0  0  0  0
    1.1030    5.3457   -1.7076 H   0  0  0  0  0
    5.7516    6.4580    0.4629 H   0  0  0  0  0
    6.3313    4.0867    0.8610 H   0  0  0  0  0
   -2.1520    3.5982   -0.3490 H   0  0  0  0  0
   -1.6325    2.2088   -1.2822 H   0  0  0  0  0
   -1.3123    3.8458   -1.8977 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
SK&F-106686

>  <PubChem CID>
10946567

>  <Formula>
C14H16ClNS

>  <Molecular Weight>
265.799000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=C2CN(CCC3=C(C=CC(=C32)S1)Cl)C

>  <Isomeric SMILES>
CCC1=C2CN(CCC3=C(C=CC(=C32)S1)Cl)C

>  <InChI Std. ID>
InChI=1S/C14H16ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h4-5H,3,6-8H2,1-2H3

>  <InChI Key>
BAAUEDJUTZLMAN-UHFFFAOYSA-N

