3-acetamido-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 3-acetamido-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 3-acetamido-5-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 3-acetamido-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 3-acetamido-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 3-acetamido-5-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)N2C=NNC2=S)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)N2C=NNC2=S)C(=O)O

InChI

InChI=1S/C11H10N4O3S/c1-6(16)13-8-2-7(10(17)18)3-9(4-8)15-5-12-14-11(15)19/h2-5H,1H3,(H,13,16)(H,14,19)(H,17,18)