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

Systemtic Name: ethyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]coumarilic acid ethyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C4N3C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C18H15N3O3S/c1-2-23-17(22)16-13(12-7-3-4-8-14(12)24-16)11-25-18-20-19-15-9-5-6-10-21(15)18/h3-10H,2,11H2,1H3