5-(3-fluoranyl-4-methylsulfanyl-phenyl)-4-(3-methylbutyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one; 1H-pyridazin-6-one

Systemtic Name: 5-(3-fluoranyl-4-methylsulfanyl-phenyl)-4-(3-methylbutyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one; 1H-pyridazin-6-one Openeye Name: 5-(3-fluoro-4-methylsulfanyl-phenyl)-4-isopentyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one; 1H-pyridazin-6-one CAS Name: 5-[3-fluoro-4-(methylthio)phenyl]-4-(3-methylbutyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone; 1H-pyridazin-6-one IUPAC Name: 5-(3-fluoro-4-methylsulfanylphenyl)-4-(3-methylbutyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one; 1H-pyridazin-6-one Traditional Name: 5-[3-fluoro-4-(methylthio)phenyl]-4-isoamyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one; 1H-pyridazin-6-one Formula: C22H24F4N4O2S MolecularWeight: 484.510173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC(=C(C=C2)SC)F.C1=CC(=O)NN=C1

Isomeric SMILES

CC(C)CCC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC(=C(C=C2)SC)F.C1=CC(=O)NN=C1

InChI

InChI=1S/C18H20F4N2OS.C4H4N2O/c1-11(2)4-6-13-14(12-5-7-16(26-3)15(19)8-12)9-23-24(17(13)25)10-18(20,21)22;7-4-2-1-3-5-6-4/h5,7-9,11H,4,6,10H2,1-3H3;1-3H,(H,6,7)