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

Systemtic Name: ethyl 4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C4N3C=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C4N3C=CC=C4)C

InChI

InChI=1S/C20H18N4O2S/c1-3-26-19(25)18-13(2)14-8-4-5-9-15(14)21-16(18)12-27-20-23-22-17-10-6-7-11-24(17)20/h4-11H,3,12H2,1-2H3