sodium 3-(3-methyl-5-sulfanylidene-2H-1,2,3,4-tetrazol-3-ium-1-yl)benzenesulfonate

Systemtic Name: sodium 3-(3-methyl-5-sulfanylidene-2H-1,2,3,4-tetrazol-3-ium-1-yl)benzenesulfonate Openeye Name: sodium 3-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)benzenesulfonate CAS Name: sodium 3-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzenesulfonate IUPAC Name: sodium 3-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzenesulfonate Traditional Name: sodium 3-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)besylate Formula: C8H8N4NaO3S2+ MolecularWeight: 295.29389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N4O3S2.Na/c1-11-9-8(16)12(10-11)6-3-2-4-7(5-6)17(13,14)15;/h2-5H,1H3,(H-,9,10,13,14,15,16);/q;+1