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

Systemtic Name: 4-(3-methyl-5-sulfanylidene-2H-1,2,3,4-tetrazol-3-ium-1-yl)benzoic acid Openeye Name: 4-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)benzoic acid CAS Name: 4-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzoic acid IUPAC Name: 4-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzoic acid Traditional Name: 4-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)benzoic acid Formula: C9H9N4O2S+ MolecularWeight: 237.25836

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(=S)N(N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C[N+]1=NC(=S)N(N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C9H8N4O2S/c1-12-10-9(16)13(11-12)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H-,10,11,14,15,16)/p+1