2-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-methylsulfonylphenyl)-4-(4-oxidanylpentoxy)pyridazin-3-one

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-5-(4-methylsulfonylphenyl)-4-(4-oxidanylpentoxy)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-4-(4-hydroxypentoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-4-(4-hydroxypentoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4-(4-hydroxypentoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-4-(4-hydroxypentoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H22ClFN2O5S MolecularWeight: 480.936883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC(CCCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C22H22ClFN2O5S/c1-14(27)4-3-11-31-21-18(15-5-8-17(9-6-15)32(2,29)30)13-25-26(22(21)28)16-7-10-20(24)19(23)12-16/h5-10,12-14,27H,3-4,11H2,1-2H3