8-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]octanenitrile

Systemtic Name: 8-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]octanenitrile Openeye Name: 8-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]octanenitrile CAS Name: 8-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]octanenitrile IUPAC Name: 8-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]octanenitrile Traditional Name: 8-[1-(p-tolylthio)-1H-isoquinolin-2-yl]caprylonitrile Formula: C24H28N2S MolecularWeight: 376.55752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCCCC#N

InChI

InChI=1S/C24H28N2S/c1-20-12-14-22(15-13-20)27-24-23-11-7-6-10-21(23)16-19-26(24)18-9-5-3-2-4-8-17-25/h6-7,10-16,19,24H,2-5,8-9,18H2,1H3