ethyl 4-[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]thiomorpholine-3-carboxylate CAS Name: 4-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]thiomorpholine-3-carboxylate Traditional Name: 4-[4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H20F3N3O4S/c1-3-30-19(29)15-11-31-9-8-25(15)18(28)17-16(27)10-12(2)26(24-17)14-7-5-4-6-13(14)20(21,22)23/h4-7,10,15H,3,8-9,11H2,1-2H3