2-(3,4-dimethoxyphenyl)-3-[3-(hydroxymethyl)phenyl]-2-(4-methylphenyl)sulfanyl-propanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-[3-(hydroxymethyl)phenyl]-2-(4-methylphenyl)sulfanyl-propanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-3-[3-(hydroxymethyl)phenyl]-2-(p-tolylsulfanyl)propanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-3-[3-(hydroxymethyl)phenyl]-2-[(4-methylphenyl)thio]propanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-[3-(hydroxymethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-3-(3-methylolphenyl)-2-(p-tolylthio)propionitrile Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC2=CC(=CC=C2)CO)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CC2=CC(=CC=C2)CO)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H25NO3S/c1-18-7-10-22(11-8-18)30-25(17-26,15-19-5-4-6-20(13-19)16-27)21-9-12-23(28-2)24(14-21)29-3/h4-14,27H,15-16H2,1-3H3