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

Systemtic Name: 2-[2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[1-oxo-2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid Formula: C11H10N4O3S2 MolecularWeight: 310.3521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC(=S)NN2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC2=NC(=S)NN2

InChI

InChI=1S/C11H10N4O3S2/c16-8(5-20-11-13-10(19)14-15-11)12-7-4-2-1-3-6(7)9(17)18/h1-4H,5H2,(H,12,16)(H,17,18)(H2,13,14,15,19)