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

Systemtic Name: sodium 3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonate Openeye Name: sodium 3-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzenesulfonate CAS Name: sodium 3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonate IUPAC Name: sodium 3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonate Traditional Name: sodium 3-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)besylate Formula: C9H8N3NaO3S2 MolecularWeight: 293.29789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NNC(=S)N1C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H9N3O3S2.Na/c1-6-10-11-9(16)12(6)7-3-2-4-8(5-7)17(13,14)15;/h2-5H,1H3,(H,11,16)(H,13,14,15);/q;+1/p-1