7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanenitrile hydrochloride

Systemtic Name: 7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanenitrile hydrochloride Openeye Name: 7-[1-(p-tolylsulfanyl)isoindol-2-yl]heptanenitrile hydrochloride CAS Name: 7-[1-[(4-methylphenyl)thio]-2-isoindolyl]heptanenitrile hydrochloride IUPAC Name: 7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanenitrile hydrochloride Traditional Name: 7-[1-(p-tolylthio)isoindol-2-yl]enanthonitrile hydrochloride Formula: C22H25ClN2S MolecularWeight: 384.9653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C=CC=CC3=CN2CCCCCCC#N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C=CC=CC3=CN2CCCCCCC#N.Cl

InChI

InChI=1S/C22H24N2S.ClH/c1-18-11-13-20(14-12-18)25-22-21-10-6-5-9-19(21)17-24(22)16-8-4-2-3-7-15-23;/h5-6,9-14,17H,2-4,7-8,16H2,1H3;1H