1-ethyl-3-(2-oxidanylidene-2-pyridin-2-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-(2-oxidanylidene-2-pyridin-2-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-[2-oxo-2-(2-pyridyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[[2-oxo-2-(2-pyridinyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-(2-oxo-2-pyridin-2-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-[[2-keto-2-(2-pyridyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=CC=N3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=CC=N3)C#N

InChI

InChI=1S/C19H19N3OS/c1-2-16-14-8-4-3-7-13(14)15(11-20)19(22-16)24-12-18(23)17-9-5-6-10-21-17/h5-6,9-10H,2-4,7-8,12H2,1H3