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

Systemtic Name: sodium 2-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonate Openeye Name: sodium 2-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonate CAS Name: sodium 2-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]-oxomethyl]benzenesulfonate IUPAC Name: sodium 2-[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzenesulfonate Traditional Name: sodium 2-[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)carbamoyl]besylate Formula: C10H9N4NaO4S2 MolecularWeight: 336.32263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NC(=O)C2=CC=CC=C2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NNC(=S)N1NC(=O)C2=CC=CC=C2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H10N4O4S2.Na/c1-6-11-12-10(19)14(6)13-9(15)7-4-2-3-5-8(7)20(16,17)18;/h2-5H,1H3,(H,12,19)(H,13,15)(H,16,17,18);/q;+1/p-1