methyl 4-oxidanylidene-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C4N3C=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C17H13N5O3S/c1-25-16(24)10-5-6-11-12(8-10)18-13(19-15(11)23)9-26-17-21-20-14-4-2-3-7-22(14)17/h2-8H,9H2,1H3,(H,18,19,23)