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

Systemtic Name: 5-chloranyl-2-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)sulfanyl-pentanenitrile Openeye Name: 5-chloro-2-(3,4-dimethoxyphenyl)-4-methyl-2-(p-tolylsulfanyl)pentanenitrile CAS Name: 5-chloro-2-(3,4-dimethoxyphenyl)-4-methyl-2-[(4-methylphenyl)thio]pentanenitrile IUPAC Name: 5-chloro-2-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)sulfanylpentanenitrile Traditional Name: 5-chloro-2-(3,4-dimethoxyphenyl)-4-methyl-2-(p-tolylthio)valeronitrile Formula: C21H24ClNO2S MolecularWeight: 389.93876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO2S/c1-15-5-8-18(9-6-15)26-21(14-23,12-16(2)13-22)17-7-10-19(24-3)20(11-17)25-4/h5-11,16H,12-13H2,1-4H3