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

Systemtic Name: sodium 3-(5-sulfanylidene-1,4-dihydro-1,2,3-triazol-4-yl)benzenesulfonate Openeye Name: sodium 3-(5-thioxo-1,4-dihydrotriazol-4-yl)benzenesulfonate CAS Name: sodium 3-(5-sulfanylidene-1,4-dihydrotriazol-4-yl)benzenesulfonate IUPAC Name: sodium 3-(5-sulfanylidene-1,4-dihydrotriazol-4-yl)benzenesulfonate Traditional Name: sodium 3-(5-thioxo-1,4-dihydrotriazol-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-])C2C(=S)NN=N2.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2C(=S)NN=N2.[Na+]

InChI

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