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

Systemtic Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H13N4O3S- MolecularWeight: 305.33232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)[O-]

InChI

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