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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolylthio)enanthonitrile Formula: C32H38N2O3S MolecularWeight: 530.72072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=C(C2)C=CC(=C3)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=C(C2)C=CC(=C3)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H38N2O3S/c1-24-8-13-29(14-9-24)38-32(23-33,27-11-15-30(36-3)31(21-27)37-4)17-6-5-7-18-34-19-16-25-20-28(35-2)12-10-26(25)22-34/h8-15,20-21H,5-7,16-19,22H2,1-4H3