2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-ethanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-ethanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)acetonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]acetonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylacetonitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)acetonitrile Formula: C17H17NO2S MolecularWeight: 299.38738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S/c1-12-4-7-14(8-5-12)21-17(11-18)13-6-9-15(19-2)16(10-13)20-3/h4-10,17H,1-3H3