
 cid_896091

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.8525    0.4837   -0.1416 C   0  0  0  0  0
    2.3294    0.2254   -0.0540 C   0  0  0  0  0
    2.8256   -1.0683   -0.2815 C   0  0  0  0  0
    4.2084   -1.2897   -0.1613 C   0  0  0  0  0
    5.0908   -0.2721    0.1858 C   0  0  0  0  0
    4.5790    1.0175    0.4248 C   0  0  0  0  0
    3.2039    1.2530    0.3084 C   0  0  0  0  0
    6.4173   -0.6484    0.2659 N   0  0  0  0  0
    6.5715   -1.9250   -0.0122 C   0  0  0  0  0
    5.1034   -2.7361   -0.3838 S   0  0  0  0  0
    7.7862   -2.5973   -0.0135 N   0  0  0  0  0
    8.0287   -3.9295   -0.3135 C   0  0  0  0  0
    9.3420   -4.1850   -0.1978 C   0  0  0  0  0
    9.9821   -3.0372    0.1765 N   0  0  0  0  0
    9.0391   -1.9901    0.3088 C   0  0  0  0  0
    9.5110   -0.4651    0.7563 S   0  0  0  0  0
    7.0705   -4.8259   -0.6729 O   0  0  0  0  0
    0.6495    1.5357   -0.3683 H   0  0  0  0  0
    0.3717    0.2291    0.8080 H   0  0  0  0  0
    0.4014   -0.1136   -0.9410 H   0  0  0  0  0
    2.1601   -1.8849   -0.5463 H   0  0  0  0  0
    5.2581    1.8182    0.7016 H   0  0  0  0  0
    2.8255    2.2546    0.5047 H   0  0  0  0  0
    9.8802   -5.1060   -0.3556 H   0  0  0  0  0
   10.9731   -2.9201    0.3413 H   0  0  0  0  0
    7.4990   -5.6831   -0.8317 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 22  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 17 26  1  0  0  0
M  END

>  <Chemical Name>
cid_896091

>  <PubChem CID>
91897361

>  <Formula>
C11H9N3OS2

>  <Molecular Weight>
263.333000

>  <IUPAC Name>
4-hydroxy-3-(6-methyl-1,3-benzothiazol-2-yl)-1H-imidazole-2-thione

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC2=C(C=C1)N=C(S2)N3C(=CNC3=S)O

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)N=C(S2)N3C(=CNC3=S)O

>  <InChI Std. ID>
InChI=1S/C11H9N3OS2/c1-6-2-3-7-8(4-6)17-11(13-7)14-9(15)5-12-10(14)16/h2-5,15H,1H3,(H,12,16)

>  <InChI Key>
DKLMIQGSOYYIFP-UHFFFAOYSA-N

