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

Systemtic Name: 2-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]heptanenitrile Openeye Name: 2-[1-(p-tolylsulfanyl)-1H-isoquinolin-2-yl]heptanenitrile CAS Name: 2-[1-[(4-methylphenyl)thio]-1H-isoquinolin-2-yl]heptanenitrile IUPAC Name: 2-[1-(4-methylphenyl)sulfanyl-1H-isoquinolin-2-yl]heptanenitrile Traditional Name: 2-[1-(p-tolylthio)-1H-isoquinolin-2-yl]enanthonitrile Formula: C23H26N2S MolecularWeight: 362.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#N)N1C=CC2=CC=CC=C2C1SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC(C#N)N1C=CC2=CC=CC=C2C1SC3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N2S/c1-3-4-5-9-20(17-24)25-16-15-19-8-6-7-10-22(19)23(25)26-21-13-11-18(2)12-14-21/h6-8,10-16,20,23H,3-5,9H2,1-2H3