methyl 5-oxidanylidene-4-(trifluoromethylsulfanyl)-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: methyl 5-oxidanylidene-4-(trifluoromethylsulfanyl)-1,2-dihydropyrazole-3-carboxylate Openeye Name: methyl 5-oxo-4-(trifluoromethylsulfanyl)-1,2-dihydropyrazole-3-carboxylate CAS Name: 5-oxo-4-(trifluoromethylthio)-1,2-dihydropyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-4-(trifluoromethylsulfanyl)-1,2-dihydropyrazole-3-carboxylate Traditional Name: 5-keto-4-(trifluoromethylthio)-3-pyrazoline-3-carboxylic acid methyl ester Formula: C6H5F3N2O3S MolecularWeight: 242.17571

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)NN1)SC(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C(=O)NN1)SC(F)(F)F

InChI

InChI=1S/C6H5F3N2O3S/c1-14-5(13)2-3(4(12)11-10-2)15-6(7,8)9/h1H3,(H2,10,11,12)