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

Systemtic Name: 4-(5-sulfanylidene-1H-1,2,4-triazol-2-yl)benzoic acid Openeye Name: 4-(5-thioxo-1H-1,2,4-triazol-2-yl)benzoic acid CAS Name: 4-(5-sulfanylidene-1H-1,2,4-triazol-2-yl)benzoic acid IUPAC Name: 4-(5-sulfanylidene-1H-1,2,4-triazol-2-yl)benzoic acid Traditional Name: 4-(5-thioxo-1H-1,2,4-triazol-2-yl)benzoic acid Formula: C9H7N3O2S MolecularWeight: 221.23578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C=NC(=S)N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C=NC(=S)N2

InChI

InChI=1S/C9H7N3O2S/c13-8(14)6-1-3-7(4-2-6)12-5-10-9(15)11-12/h1-5H,(H,11,15)(H,13,14)