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

Systemtic Name: methyl 2-methyl-5-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 5-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=C(O2)C)C(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=C(O2)C)C(=O)OC

InChI

InChI=1S/C13H17N3O4S/c1-4-5-16-12(18)14-15-13(16)21-7-9-6-10(8(2)20-9)11(17)19-3/h6H,4-5,7H2,1-3H3,(H,14,18)