2-(3,4-dimethoxyphenyl)-5-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylphenyl)sulfanyl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylphenyl)sulfanyl-pentanenitrile Openeye Name: 5-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)pentanenitrile CAS Name: 5-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]pentanenitrile IUPAC Name: 5-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpentanenitrile Traditional Name: 5-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)valeronitrile Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)SC4=CC=C(C=C4)C)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1CCCC(C#N)(C3=CC(=C(C=C3)OC)OC)SC4=CC=C(C=C4)C)O)O

InChI

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