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

Systemtic Name: 6-methyl-4-oxidanylidene-N-(3-phenylsulfanylpropyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-4-oxo-N-(3-phenylsulfanylpropyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-N-[3-(phenylthio)propyl]-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-4-oxo-N-(3-phenylsulfanylpropyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[3-(phenylthio)propyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H20F3N3O2S/c1-15-14-19(29)20(21(30)26-12-7-13-31-16-8-3-2-4-9-16)27-28(15)18-11-6-5-10-17(18)22(23,24)25/h2-6,8-11,14H,7,12-13H2,1H3,(H,26,30)