
 CHEMBL286246

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.2260    0.7711    0.0515 C   0  0  0  0  0
    0.9499    1.5451   -0.3282 C   0  0  0  0  0
   -0.2686    0.7458    0.0012 C   0  0  0  0  0
   -0.2958   -0.6272    0.1357 C   0  0  0  0  0
   -1.6087   -1.1040    0.4163 C   0  0  0  0  0
   -2.5255   -0.0748    0.4793 C   0  0  0  0  0
   -1.8024    1.4536    0.2022 S   0  0  0  0  0
    0.9240   -1.3893    0.0072 C   0  0  0  0  0
    2.1090   -0.7355   -0.0362 C   0  0  0  0  0
    0.9575   -2.8071   -0.0912 C   0  0  0  0  0
    0.3439   -3.7408   -0.9003 C   0  0  0  0  0
    0.6964   -5.0170   -0.5378 N   0  0  0  0  0
    1.5033   -4.8729    0.4877 C   0  0  0  0  0
    1.6873   -3.5559    0.8006 N   0  0  0  0  0
    3.0464    1.1100   -0.5921 H   0  0  0  0  0
    2.5133    1.0220    1.0806 H   0  0  0  0  0
    0.9559    1.7409   -1.4082 H   0  0  0  0  0
    0.9462    2.5167    0.1787 H   0  0  0  0  0
   -1.8773   -2.1423    0.5696 H   0  0  0  0  0
   -3.5866   -0.1452    0.6747 H   0  0  0  0  0
    3.0466   -1.2755   -0.1421 H   0  0  0  0  0
   -0.3333   -3.5585   -1.7249 H   0  0  0  0  0
    1.9748   -5.6737    1.0417 H   0  0  0  0  0
    2.2461   -3.1989    1.5628 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 21  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL286246

>  <PubChem CID>
9815610

>  <Formula>
C11H10N2S

>  <Molecular Weight>
202.275000

>  <IUPAC Name>
5-(6,7-dihydro-1-benzothiophen-4-yl)-1H-imidazole

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2=C(C=CS2)C(=C1)C3=CN=CN3

>  <Isomeric SMILES>
C1CC2=C(C=CS2)C(=C1)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)

>  <InChI Key>
BAADWHDQAKDYLX-UHFFFAOYSA-N

