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

Systemtic Name: 2-(3,4-diethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 2-(3,4-diethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 2-(3,4-diethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 2-(3,4-diethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 2-(3,4-diethoxyphenyl)-7-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolylthio)enanthonitrile Formula: C34H42N2O3S MolecularWeight: 558.77388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCCCCN2CCC3=C(C2)C=CC(=C3)OC)(C#N)SC4=CC=C(C=C4)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCCCCN2CCC3=C(C2)C=CC(=C3)OC)(C#N)SC4=CC=C(C=C4)C)OCC

InChI

InChI=1S/C34H42N2O3S/c1-5-38-32-17-13-29(23-33(32)39-6-2)34(25-35,40-31-15-10-26(3)11-16-31)19-8-7-9-20-36-21-18-27-22-30(37-4)14-12-28(27)24-36/h10-17,22-23H,5-9,18-21,24H2,1-4H3