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

Systemtic Name: methyl 5-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NNC(=N2)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NNC(=N2)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C17H17N3O4S/c1-10-14(16(21)23-3)8-13(24-10)9-25-17-18-15(19-20-17)11-4-6-12(22-2)7-5-11/h4-8H,9H2,1-3H3,(H,18,19,20)