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

Systemtic Name: methyl 4-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-phenyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C4N3C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C4N3C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H18N4O2S/c1-30-23(29)22-19(15-31-24-27-26-20-13-7-8-14-28(20)24)25-18-12-6-5-11-17(18)21(22)16-9-3-2-4-10-16/h2-14H,15H2,1H3