null
  CDK     0224162331
null
 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.5990    2.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470    2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851    1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371    1.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3441    1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    1.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 10  1  0  0  0  0 
 18 19  2  0  0  0  0 
M  END
> <ID>
CHEBI:107489

> <NAME>
3-(2-phenoxyethyl)-1H-benzimidazole-2-thione

> <STAR>
2

> <FORMULA>
C15H14N2OS

> <MASS>
270.351

> <MONOISOTOPIC_MASS>
270.08268

> <CHARGE>
0

> <SMILES>
C1=CC=C(C=C1)OCCN2C3=CC=CC=C3NC2=S

> <INCHI>
InChI=1S/C15H14N2OS/c19-15-16-13-8-4-5-9-14(13)17(15)10-11-18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,19)

> <INCHIKEY>
UOSKQLWSSCRNCT-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-18844

$$$$