4-(4-methylphenyl)sulfanyl-2-phenyl-butanenitrile

Systemtic Name: 4-(4-methylphenyl)sulfanyl-2-phenyl-butanenitrile Openeye Name: 2-phenyl-4-(p-tolylsulfanyl)butanenitrile CAS Name: 4-[(4-methylphenyl)thio]-2-phenylbutanenitrile IUPAC Name: 4-(4-methylphenyl)sulfanyl-2-phenylbutanenitrile Traditional Name: 2-phenyl-4-(p-tolylthio)butyronitrile Formula: C17H17NS MolecularWeight: 267.38858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(C#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H17NS/c1-14-7-9-17(10-8-14)19-12-11-16(13-18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3