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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C13H17N3O4S/c1-4-7-16-12(18)14-15-13(16)21-8(2)9-5-6-10(20-9)11(17)19-3/h5-6,8H,4,7H2,1-3H3,(H,14,18)