5-chloranyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-pentanenitrile

Systemtic Name: 5-chloranyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-pentanenitrile Openeye Name: 5-chloro-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)pentanenitrile CAS Name: 5-chloro-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]pentanenitrile IUPAC Name: 5-chloro-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpentanenitrile Traditional Name: 5-chloro-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)valeronitrile Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO2S/c1-15-5-8-17(9-6-15)25-20(14-22,11-4-12-21)16-7-10-18(23-2)19(13-16)24-3/h5-10,13H,4,11-12H2,1-3H3