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

Systemtic Name: methyl 2-methyl-5-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-10-4-6-12(7-5-10)15-18-17(20-19-15)24-9-13-8-14(11(2)23-13)16(21)22-3/h4-8H,9H2,1-3H3,(H,18,19,20)