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

Systemtic Name: 4-(5-sulfanylidene-1,2,4-triazol-3-yl)benzoic acid Openeye Name: 4-(5-thioxo-1,2,4-triazol-3-yl)benzoic acid CAS Name: 4-(5-sulfanylidene-1,2,4-triazol-3-yl)benzoic acid IUPAC Name: 4-(5-sulfanylidene-1,2,4-triazol-3-yl)benzoic acid Traditional Name: 4-(5-thioxo-1,2,4-triazol-3-yl)benzoic acid Formula: C9H5N3O2S MolecularWeight: 219.2199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=S)N=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=S)N=N2)C(=O)O

InChI

InChI=1S/C9H5N3O2S/c13-8(14)6-3-1-5(2-4-6)7-10-9(15)12-11-7/h1-4H,(H,13,14)