2-[[4-(4-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)NC(=O)C)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)NC(=O)C)SCC(=O)O

InChI

InChI=1S/C13H14N4O3S/c1-8-15-16-13(21-7-12(19)20)17(8)11-5-3-10(4-6-11)14-9(2)18/h3-6H,7H2,1-2H3,(H,14,18)(H,19,20)