6-methyl-4-oxidanylidene-N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-4-oxidanylidene-N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-4-oxo-N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-N-[2-(phenylthio)ethyl]-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-4-oxo-N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[2-(phenylthio)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H18F3N3O2S/c1-14-13-18(28)19(20(29)25-11-12-30-15-7-3-2-4-8-15)26-27(14)17-10-6-5-9-16(17)21(22,23)24/h2-10,13H,11-12H2,1H3,(H,25,29)