sodium (1Z)-3-methoxy-4-methyl-5-oxidanylidene-N-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,2,4-triazole-1-carboximidate

Systemtic Name: sodium (1Z)-3-methoxy-4-methyl-5-oxidanylidene-N-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,2,4-triazole-1-carboximidate Openeye Name: sodium (1Z)-3-methoxy-4-methyl-5-oxo-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboximidate CAS Name: sodium (1Z)-3-methoxy-4-methyl-5-oxo-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboximidate IUPAC Name: sodium (1Z)-3-methoxy-4-methyl-5-oxo-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboximidate Traditional Name: sodium (1Z)-5-keto-3-methoxy-4-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboximidate Formula: C12H10F3N4NaO6S MolecularWeight: 418.28098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C(=NN(C1=O)/C(=N/S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)/[O-])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