2-[3,4-bis(fluoranyl)phenyl]-4-butoxy-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-4-butoxy-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-butoxy-2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-butoxy-2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-butoxy-2-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-butoxy-2-(3,4-difluorophenyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H20F2N2O4S MolecularWeight: 434.456306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20F2N2O4S/c1-3-4-11-29-20-17(14-5-8-16(9-6-14)30(2,27)28)13-24-25(21(20)26)15-7-10-18(22)19(23)12-15/h5-10,12-13H,3-4,11H2,1-2H3