1-(4-methylphenyl)-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(4-methylphenyl)-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-methylphenyl)-3-(phenylmethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(benzylthio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C24H22N2S MolecularWeight: 370.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H22N2S/c1-17-11-13-19(14-12-17)23-21-10-6-5-9-20(21)22(15-25)24(26-23)27-16-18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,16H2,1H3