5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C12H12N4O4S/c1-16-6-13-15-12(16)21-5-10(18)14-7-2-3-9(17)8(4-7)11(19)20/h2-4,6,17H,5H2,1H3,(H,14,18)(H,19,20)