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

Systemtic Name: 3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 3-(5-thioxo-2H-tetrazol-1-yl)benzoic acid CAS Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid IUPAC Name: 3-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid Traditional Name: 3-(5-thioxo-2H-tetrazol-1-yl)benzoic acid Formula: C8H6N4O2S MolecularWeight: 222.22384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=S)N=NN2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=S)N=NN2)C(=O)O

InChI

InChI=1S/C8H6N4O2S/c13-7(14)5-2-1-3-6(4-5)12-8(15)9-10-11-12/h1-4H,(H,13,14)(H,9,11,15)