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

Systemtic Name: methyl 5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(o-tolyl)-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=CC=C1N2C=NN=C2SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(O3)C(=O)OC

InChI

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