
 CHEMBL1203847

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.0448    0.7066   -0.1296 C   0  0  0  0  0
    2.5175    0.4916   -0.0329 C   0  0  0  0  0
    3.5029    1.4761    0.0961 C   0  0  0  0  0
    4.8206    0.9432    0.1668 C   0  0  0  0  0
    4.8550   -0.4543    0.0911 C   0  0  0  0  0
    3.2874   -0.9762   -0.0563 S   0  0  0  0  0
    6.0721   -1.3232    0.1391 C   0  0  0  0  0
    6.9915   -1.0040   -0.9994 C   0  0  0  0  0
    8.2896   -0.5563   -0.9067 C   0  0  0  0  0
    8.7774   -0.3865   -2.1519 N   0  0  0  0  0
    7.7660   -0.7351   -2.9772 C   0  0  0  0  0
    6.6683   -1.1150   -2.2970 N   0  0  0  0  0
   -2.3372    0.5110    1.9500 Cl  0  0  0  0  0
    0.8050    1.7899   -0.0853 H   0  0  0  0  0
    0.5412    0.1904    0.7133 H   0  0  0  0  0
    0.6710    0.2925   -1.0888 H   0  0  0  0  0
    3.2886    2.5360    0.1391 H   0  0  0  0  0
    5.7055    1.5579    0.2687 H   0  0  0  0  0
    5.7770   -2.3918    0.0726 H   0  0  0  0  0
    6.5914   -1.1604    1.1077 H   0  0  0  0  0
    8.8465   -0.3651    0.0009 H   0  0  0  0  0
    7.8317   -0.7112   -4.0569 H   0  0  0  0  0
    5.7571   -1.4295   -2.6985 H   0  0  0  0  0
   -1.3129    1.3099    2.4031 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  2  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 13 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1203847

>  <PubChem CID>
49861210

>  <Formula>
C9H11ClN2S

>  <Molecular Weight>
214.711000

>  <IUPAC Name>
5-[(5-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(S1)CC2=CN=CN2.Cl

>  <Isomeric SMILES>
CC1=CC=C(S1)CC2=CN=CN2.Cl

>  <InChI Std. ID>
InChI=1S/C9H10N2S.ClH/c1-7-2-3-9(12-7)4-8-5-10-6-11-8;/h2-3,5-6H,4H2,1H3,(H,10,11);1H

>  <InChI Key>
ATVBNDBYIJZBDX-UHFFFAOYSA-N

