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

Systemtic Name: 3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC(=CC=C3)OC)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC(=CC=C3)OC)C#N

InChI

InChI=1S/C20H20N2O2S/c1-13-16-8-3-4-9-17(16)18(11-21)20(22-13)25-12-19(23)14-6-5-7-15(10-14)24-2/h5-7,10H,3-4,8-9,12H2,1-2H3