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

Systemtic Name: methyl 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC)OC

InChI

InChI=1S/C17H17N3O5S/c1-22-12-6-10(7-13(8-12)23-2)15-18-17(20-19-15)26-9-11-4-5-14(25-11)16(21)24-3/h4-8H,9H2,1-3H3,(H,18,19,20)