ethyl 3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C17H19N3O4S/c1-3-9-20-16(22)18-19-17(20)25-10-12-11-7-5-6-8-13(11)24-14(12)15(21)23-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,22)