sodium 3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonate

Systemtic Name: sodium 3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonate Openeye Name: sodium 3-(5-thioxo-1H-1,2,4-triazol-4-yl)benzenesulfonate CAS Name: sodium 3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonate IUPAC Name: sodium 3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonate Traditional Name: sodium 3-(5-thioxo-1H-1,2,4-triazol-4-yl)besylate Formula: C8H6N3NaO3S2 MolecularWeight: 279.27131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C=NNC2=S.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])N2C=NNC2=S.[Na+]

InChI

InChI=1S/C8H7N3O3S2.Na/c12-16(13,14)7-3-1-2-6(4-7)11-5-9-10-8(11)15;/h1-5H,(H,10,15)(H,12,13,14);/q;+1/p-1