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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H38N2O4S/c1-23-8-11-27(12-9-23)39-32(22-33,26-10-13-28(35-2)31(20-26)38-5)15-6-7-16-34-17-14-24-18-29(36-3)30(37-4)19-25(24)21-34/h8-13,18-20H,6-7,14-17,21H2,1-5H3