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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-4-ethoxy-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3,4-difluorophenyl)-4-ethoxy-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3,4-difluorophenyl)-4-ethoxy-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3,4-difluorophenyl)-4-ethoxy-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3,4-difluorophenyl)-4-ethoxy-5-(4-mesylphenyl)pyridazin-3-one Formula: C19H16F2N2O4S MolecularWeight: 406.403146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H16F2N2O4S/c1-3-27-18-15(12-4-7-14(8-5-12)28(2,25)26)11-22-23(19(18)24)13-6-9-16(20)17(21)10-13/h4-11H,3H2,1-2H3