5-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]pentanenitrile

Systemtic Name: 5-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]pentanenitrile Openeye Name: 5-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]pentanenitrile CAS Name: 5-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]pentanenitrile IUPAC Name: 5-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]pentanenitrile Traditional Name: 5-[1-(p-tolylthio)-1H-isoquinolin-2-yl]valeronitrile Formula: C21H22N2S MolecularWeight: 334.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCC#N

InChI

InChI=1S/C21H22N2S/c1-17-9-11-19(12-10-17)24-21-20-8-4-3-7-18(20)13-16-23(21)15-6-2-5-14-22/h3-4,7-13,16,21H,2,5-6,15H2,1H3