8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-octanenitrile

Systemtic Name: 8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-octanenitrile Openeye Name: 8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)octanenitrile CAS Name: 8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]octanenitrile IUPAC Name: 8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyloctanenitrile Traditional Name: 8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)caprylonitrile Formula: C34H42N2O4S MolecularWeight: 574.77328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C34H42N2O4S/c1-25-10-13-29(14-11-25)41-34(24-35,28-12-15-30(37-2)33(22-28)40-5)17-8-6-7-9-18-36-19-16-26-20-31(38-3)32(39-4)21-27(26)23-36/h10-15,20-22H,6-9,16-19,23H2,1-5H3