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

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-butanenitrile Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)butanenitrile CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]butanenitrile IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylbutanenitrile Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)butyronitrile Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C30H34N2O4S/c1-21-6-9-25(10-7-21)37-30(20-31,24-8-11-26(33-2)29(18-24)36-5)13-15-32-14-12-22-16-27(34-3)28(35-4)17-23(22)19-32/h6-11,16-18H,12-15,19H2,1-5H3