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

Systemtic Name: methyl 5-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2N)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2N)C3=CC=CO3

InChI

InChI=1S/C13H12N4O4S/c1-19-12(18)10-5-4-8(21-10)7-22-13-16-15-11(17(13)14)9-3-2-6-20-9/h2-6H,7,14H2,1H3