methyl 2-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-6-oxidanylidene-1,2-diazinane-4-carboxylate

Systemtic Name: methyl 2-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl]-6-oxidanylidene-1,2-diazinane-4-carboxylate Openeye Name: methyl 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]-6-oxo-hexahydropyridazine-4-carboxylate CAS Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]-6-oxo-4-diazinanecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]-6-oxodiazinane-4-carboxylate Traditional Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetyl]-6-keto-hexahydropyridazine-4-carboxylic acid methyl ester Formula: C14H13ClF3N3O4S MolecularWeight: 411.78393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)NN(C1)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1CC(=O)NN(C1)C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H13ClF3N3O4S/c1-25-13(24)7-2-10(22)20-21(5-7)11(23)6-26-12-9(15)3-8(4-19-12)14(16,17)18/h3-4,7H,2,5-6H2,1H3,(H,20,22)