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

Systemtic Name: methyl 4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C4N3C=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C4N3C=CC=C4)C(=O)OC

InChI

InChI=1S/C19H16N4O2S/c1-12-13-7-3-4-8-14(13)20-15(17(12)18(24)25-2)11-26-19-22-21-16-9-5-6-10-23(16)19/h3-10H,11H2,1-2H3