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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)enanthonitrile Formula: C31H36N2O2S MolecularWeight: 500.69474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=CC=CC=C3C2)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=CC=CC=C3C2)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H36N2O2S/c1-24-11-14-28(15-12-24)36-31(23-32,27-13-16-29(34-2)30(21-27)35-3)18-7-4-8-19-33-20-17-25-9-5-6-10-26(25)22-33/h5-6,9-16,21H,4,7-8,17-20,22H2,1-3H3