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

Systemtic Name: 6-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-4-oxo-N-[2-(p-tolylsulfanyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-N-[2-[(4-methylphenyl)thio]ethyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[2-(p-tolylthio)ethyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c1-14-6-8-18(9-7-14)31-11-10-26-21(30)20-19(29)12-15(2)28(27-20)17-5-3-4-16(13-17)22(23,24)25/h3-9,12-13H,10-11H2,1-2H3,(H,26,30)