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

Systemtic Name: 3-(cyanomethylsulfanyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(cyanomethylsulfanyl)-1-(m-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(cyanomethylthio)-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(cyanomethylsulfanyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(cyanomethylthio)-1-(m-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H17N3S MolecularWeight: 319.42338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3S/c1-13-5-4-6-14(11-13)18-16-8-3-2-7-15(16)17(12-21)19(22-18)23-10-9-20/h4-6,11H,2-3,7-8,10H2,1H3