sodium 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: sodium 4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: sodium 4-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: sodium 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate IUPAC Name: sodium 4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: sodium 4-(5-thioxo-2H-tetrazol-1-yl)benzoate Formula: C8H5N4NaO2S MolecularWeight: 244.20567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2C(=S)N=NN2.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2C(=S)N=NN2.[Na+]

InChI

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