6-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]hexanenitrile hydrochloride

Systemtic Name: 6-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]hexanenitrile hydrochloride Openeye Name: 6-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]hexanenitrile hydrochloride CAS Name: 6-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]hexanenitrile hydrochloride IUPAC Name: 6-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]hexanenitrile hydrochloride Traditional Name: 6-[1-(p-tolylthio)-1H-isoquinolin-2-yl]hexanenitrile hydrochloride Formula: C22H25ClN2S MolecularWeight: 384.9653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCC#N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCC#N.Cl

InChI

InChI=1S/C22H24N2S.ClH/c1-18-10-12-20(13-11-18)25-22-21-9-5-4-8-19(21)14-17-24(22)16-7-3-2-6-15-23;/h4-5,8-14,17,22H,2-3,6-7,16H2,1H3;1H