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

Systemtic Name: sodium 4-(3-methyl-5-sulfanylidene-2H-1,2,3,4-tetrazol-3-ium-1-yl)benzoate Openeye Name: sodium 4-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)benzoate CAS Name: sodium 4-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzoate IUPAC Name: sodium 4-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)benzoate Traditional Name: sodium 4-(3-methyl-5-thioxo-2H-tetrazol-3-ium-1-yl)benzoate Formula: C9H8N4NaO2S+ MolecularWeight: 259.24019

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O2S.Na/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);/q;+1