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

Systemtic Name: methyl 5-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C16H16N4O4S/c1-22-11-5-3-10(4-6-11)14-18-19-16(20(14)17)25-9-12-7-8-13(24-12)15(21)23-2/h3-8H,9,17H2,1-2H3