4-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]butanenitrile

Systemtic Name: 4-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]butanenitrile Openeye Name: 4-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]butanenitrile CAS Name: 4-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]butanenitrile IUPAC Name: 4-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]butanenitrile Traditional Name: 4-[1-(p-tolylthio)-1H-isoquinolin-2-yl]butyronitrile Formula: C20H20N2S MolecularWeight: 320.4512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCC#N

InChI

InChI=1S/C20H20N2S/c1-16-8-10-18(11-9-16)23-20-19-7-3-2-6-17(19)12-15-22(20)14-5-4-13-21/h2-3,6-12,15,20H,4-5,14H2,1H3