methyl 3-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H20N4O3S/c1-13-22-23-20(24(13)18-9-5-8-17(11-18)21-14(2)25)28-12-15-6-4-7-16(10-15)19(26)27-3/h4-11H,12H2,1-3H3,(H,21,25)