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

Systemtic Name: 6-methyl-4-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-4-oxo-N-[2-(prop-2-enylthio)phenyl]-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-4-oxo-N-(2-prop-2-enylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C22H18F3N3O2S/c1-3-12-31-19-11-7-5-9-16(19)26-21(30)20-18(29)13-14(2)28(27-20)17-10-6-4-8-15(17)22(23,24)25/h3-11,13H,1,12H2,2H3,(H,26,30)