3-[4-(hydroxymethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-(hydroxymethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-[4-(hydroxymethyl)-5-thioxo-tetrazol-1-yl]benzoic acid CAS Name: 3-[4-(hydroxymethyl)-5-sulfanylidene-1-tetrazolyl]benzoic acid IUPAC Name: 3-[4-(hydroxymethyl)-5-sulfanylidenetetrazol-1-yl]benzoic acid Traditional Name: 3-(4-methylol-5-thioxo-tetrazol-1-yl)benzoic acid Formula: C9H8N4O3S MolecularWeight: 252.24982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=S)N(N=N2)CO)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=S)N(N=N2)CO)C(=O)O

InChI

InChI=1S/C9H8N4O3S/c14-5-12-9(17)13(11-10-12)7-3-1-2-6(4-7)8(15)16/h1-4,14H,5H2,(H,15,16)