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

Systemtic Name: methyl 5-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C16H15N3O3S/c1-10-3-5-11(6-4-10)14-17-16(19-18-14)23-9-12-7-8-13(22-12)15(20)21-2/h3-8H,9H2,1-2H3,(H,17,18,19)