
 CHEMBL284213

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.2124    0.8732    0.1614 C   0  0  0  0  0
    2.2233   -0.5952   -0.2967 C   0  0  0  0  0
    0.9991   -1.3945    0.2177 C   0  0  0  0  0
   -0.2705   -0.5878    0.0806 C   0  0  0  0  0
   -0.2611    0.7766   -0.1486 C   0  0  0  0  0
    0.9633    1.6181   -0.3307 C   0  0  0  0  0
   -1.8255    1.4396   -0.2506 S   0  0  0  0  0
   -2.5476   -0.0877    0.0166 C   0  0  0  0  0
   -1.6094   -1.0844    0.1741 C   0  0  0  0  0
    1.2182   -1.8634    1.6262 C   0  0  0  0  0
    0.9621   -1.2945    2.8579 C   0  0  0  0  0
    1.3589   -2.1223    3.8757 N   0  0  0  0  0
    1.8447   -3.1884    3.2859 C   0  0  0  0  0
    1.7801   -3.0818    1.9265 N   0  0  0  0  0
    3.1080    1.3840   -0.2108 H   0  0  0  0  0
    2.2595    0.9166    1.2564 H   0  0  0  0  0
    3.1596   -1.0723    0.0175 H   0  0  0  0  0
    2.2180   -0.6088   -1.3950 H   0  0  0  0  0
    0.8970   -2.2833   -0.4214 H   0  0  0  0  0
    1.0775    1.8493   -1.3970 H   0  0  0  0  0
    0.8727    2.5694    0.2059 H   0  0  0  0  0
   -3.6243   -0.1808    0.0478 H   0  0  0  0  0
   -1.8703   -2.1189    0.3615 H   0  0  0  0  0
    0.5127   -0.3305    3.0628 H   0  0  0  0  0
    2.2518   -4.0582    3.7838 H   0  0  0  0  0
    2.0948   -3.7792    1.2663 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  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  1  0  0  0
  3 10  1  0  0  0
  3 19  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 23  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL284213

>  <PubChem CID>
9815633

>  <Formula>
C11H12N2S

>  <Molecular Weight>
204.291000

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

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(C2=C(C1)SC=C2)C3=CN=CN3

>  <Isomeric SMILES>
C1CC(C2=C(C1)SC=C2)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)

>  <InChI Key>
BFSPTAYUYXLBEU-UHFFFAOYSA-N

