7-chloranyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-octanenitrile

Systemtic Name: 7-chloranyl-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-octanenitrile Openeye Name: 7-chloro-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)octanenitrile CAS Name: 7-chloro-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]octanenitrile IUPAC Name: 7-chloro-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyloctanenitrile Traditional Name: 7-chloro-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)caprylonitrile Formula: C23H28ClNO2S MolecularWeight: 417.99192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO2S/c1-17-8-11-20(12-9-17)28-23(16-25,14-6-5-7-18(2)24)19-10-13-21(26-3)22(15-19)27-4/h8-13,15,18H,5-7,14H2,1-4H3