2-([1,2,4]triazolo[4,3-a]pyridin-5-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: 2-([1,2,4]triazolo[4,3-a]pyridin-5-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: 2-([1,2,4]triazolo[4,3-a]pyridin-5-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 2-[([1,2,4]triazolo[4,3-a]pyridin-5-ylthio)methyl]-3-quinolinecarboxylate IUPAC Name: 2-([1,2,4]triazolo[4,3-a]pyridin-5-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 2-[([1,2,4]triazolo[4,3-a]pyridin-5-ylthio)methyl]quinoline-3-carboxylate Formula: C17H11N4O2S- MolecularWeight: 335.35984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=CC=CC4=NN=CN43)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=CC=CC4=NN=CN43)C(=O)[O-]

InChI

InChI=1S/C17H12N4O2S/c22-17(23)12-8-11-4-1-2-5-13(11)19-14(12)9-24-16-7-3-6-15-20-18-10-21(15)16/h1-8,10H,9H2,(H,22,23)/p-1