ethyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilic acid ethyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

InChI

InChI=1S/C14H13N3O3S/c1-2-19-13(18)12-10(7-21-14-15-8-16-17-14)9-5-3-4-6-11(9)20-12/h3-6,8H,2,7H2,1H3,(H,15,16,17)