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

Systemtic Name: methyl 5-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)CCC(=O)N

InChI

InChI=1S/C13H16N4O4S/c1-17-11(6-5-10(14)18)15-16-13(17)22-7-8-3-4-9(21-8)12(19)20-2/h3-4H,5-7H2,1-2H3,(H2,14,18)