7-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]heptanenitrile hydrochloride

Systemtic Name: 7-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]heptanenitrile hydrochloride Openeye Name: 7-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]heptanenitrile hydrochloride CAS Name: 7-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]heptanenitrile hydrochloride IUPAC Name: 7-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]heptanenitrile hydrochloride Traditional Name: 7-[1-(p-tolylthio)-1H-isoquinolin-2-yl]enanthonitrile hydrochloride Formula: C23H27ClN2S MolecularWeight: 398.99188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCCC#N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCCC#N.Cl

InChI

InChI=1S/C23H26N2S.ClH/c1-19-11-13-21(14-12-19)26-23-22-10-6-5-9-20(22)15-18-25(23)17-8-4-2-3-7-16-24;/h5-6,9-15,18,23H,2-4,7-8,17H2,1H3;1H