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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=[N+](C(=NN2)SCC(=O)[O-])C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=[N+](C(=NN2)SCC(=O)[O-])C

InChI

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