2-(2-quinolin-2-ylsulfanylethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one

Systemtic Name: 2-(2-quinolin-2-ylsulfanylethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one Openeye Name: 2-[2-(2-quinolylsulfanyl)ethyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one CAS Name: 2-[2-(2-quinolinylthio)ethyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one IUPAC Name: 2-(2-quinolin-2-ylsulfanylethyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one Traditional Name: 2-[2-(2-quinolylthio)ethyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-one Formula: C17H15N4OS+ MolecularWeight: 323.3922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCCN3C(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCCN3C(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C17H14N4OS/c22-17-20-10-4-3-7-15(20)19-21(17)11-12-23-16-9-8-13-5-1-2-6-14(13)18-16/h1-10H,11-12H2/p+1