10-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]decanenitrile

Systemtic Name: 10-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]decanenitrile Openeye Name: 10-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]decanenitrile CAS Name: 10-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]decanenitrile IUPAC Name: 10-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]decanenitrile Traditional Name: 10-[1-(p-tolylthio)-1H-isoquinolin-2-yl]capronitrile Formula: C26H32N2S MolecularWeight: 404.61068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCCCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2C3=CC=CC=C3C=CN2CCCCCCCCCC#N

InChI

InChI=1S/C26H32N2S/c1-22-14-16-24(17-15-22)29-26-25-13-9-8-12-23(25)18-21-28(26)20-11-7-5-3-2-4-6-10-19-27/h8-9,12-18,21,26H,2-7,10-11,20H2,1H3