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

Systemtic Name: 1-ethyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[[2-(4-methylphenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-[[2-keto-2-(p-tolyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H22N2OS/c1-3-19-17-7-5-4-6-16(17)18(12-22)21(23-19)25-13-20(24)15-10-8-14(2)9-11-15/h8-11H,3-7,13H2,1-2H3