5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(2-methylsulfanylphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(2-methylsulfanylphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-(2-methylsulfanylphenyl)pentanenitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-[2-(methylthio)phenyl]-2-propan-2-ylpentanenitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylsulfanylphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[homoveratryl(methyl)amino]-2-isopropyl-2-[2-(methylthio)phenyl]valeronitrile Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC=CC=C2SC

Isomeric SMILES

CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC=CC=C2SC

InChI

InChI=1S/C26H36N2O2S/c1-20(2)26(19-27,22-10-7-8-11-25(22)31-6)15-9-16-28(3)17-14-21-12-13-23(29-4)24(18-21)30-5/h7-8,10-13,18,20H,9,14-17H2,1-6H3