sodium (3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl-[2-(trifluoromethyloxy)phenyl]sulfonyl-azanide

Systemtic Name: sodium (3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl-[2-(trifluoromethyloxy)phenyl]sulfonyl-azanide Openeye Name: sodium (3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonyl-azanide CAS Name: sodium [(3-methoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]-[2-(trifluoromethoxy)phenyl]sulfonylazanide IUPAC Name: sodium (3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide Traditional Name: sodium (5-keto-3-methoxy-4-methyl-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonyl-azanide Formula: C12H10F3N4NaO6S MolecularWeight: 418.28098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+]

Isomeric SMILES

CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+]

InChI

InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1