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

Systemtic Name: 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H12N4O3S/c1-7-13-12(16-15-7)20-6-10(17)14-9-4-2-3-8(5-9)11(18)19/h2-5H,6H2,1H3,(H,14,17)(H,18,19)(H,13,15,16)