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

Systemtic Name: 1-ethyl-3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-3-19-17-10-5-4-9-16(17)18(12-22)21(23-19)26-13-20(24)14-7-6-8-15(11-14)25-2/h6-8,11H,3-5,9-10,13H2,1-2H3