1-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-methyl-3-[[2-(4-methylphenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(p-tolyl)ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)C

InChI

InChI=1S/C20H20N2OS/c1-13-7-9-15(10-8-13)19(23)12-24-20-18(11-21)17-6-4-3-5-16(17)14(2)22-20/h7-10H,3-6,12H2,1-2H3