5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)sulfanyl-pentanenitrile

Systemtic Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)sulfanyl-pentanenitrile Openeye Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-2-(p-tolylsulfanyl)pentanenitrile CAS Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-2-[(4-methylphenyl)thio]pentanenitrile IUPAC Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)sulfanylpentanenitrile Traditional Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-2-(p-tolylthio)valeronitrile Formula: C32H38N2O4S MolecularWeight: 546.72012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC(C)CN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CC(C)CN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H38N2O4S/c1-22-7-10-27(11-8-22)39-32(21-33,26-9-12-28(35-3)31(17-26)38-6)18-23(2)19-34-14-13-24-15-29(36-4)30(37-5)16-25(24)20-34/h7-12,15-17,23H,13-14,18-20H2,1-6H3