7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile

Systemtic Name: 7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 7-(5,6-dimethoxyisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 7-(5,6-dimethoxyisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)enanthonitrile Formula: C32H38N2O4S MolecularWeight: 546.72012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H38N2O4S/c1-23-9-12-27(13-10-23)39-32(22-33,26-11-14-28(35-2)31(19-26)38-5)15-7-6-8-16-34-20-24-17-29(36-3)30(37-4)18-25(24)21-34/h9-14,17-19H,6-8,15-16,20-21H2,1-5H3