7-azanyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile

Systemtic Name: 7-azanyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 7-amino-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 7-amino-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 7-amino-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 7-amino-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)enanthonitrile Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-17-7-10-19(11-8-17)27-22(16-24,13-5-4-6-14-23)18-9-12-20(25-2)21(15-18)26-3/h7-12,15H,4-6,13-14,23H2,1-3H3