methyl 6-oxidanylidene-4-pyridin-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-4-pyridin-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: methyl 6-oxo-4-(2-pyridylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-oxo-4-(2-pyridinylthio)-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-4-pyridin-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 6-keto-4-(2-pyridylthio)-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid methyl ester Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=N2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN(C(=O)C=C1SC2=CC=CC=N2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H12F3N3O3S/c1-27-17(26)16-13(28-14-7-2-3-8-22-14)10-15(25)24(23-16)12-6-4-5-11(9-12)18(19,20)21/h2-10H,1H3