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

Systemtic Name: methyl 5-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=CN2CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=CN2CC3=CC=CO3

InChI

InChI=1S/C14H13N3O4S/c1-19-13(18)12-5-4-11(21-12)8-22-14-16-15-9-17(14)7-10-3-2-6-20-10/h2-6,9H,7-8H2,1H3