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

Systemtic Name: 4-(3-acetamido-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 4-(3-acetamido-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 4-(3-acetamido-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 4-(3-acetamido-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-(3-acetamido-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=NNC(=S)N1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=NNC(=S)N1C2=CC=C(C=C2)C(=O)O

InChI

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