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

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-4-isopentyloxy-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-4-isoamoxy-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H22ClFN2O4S MolecularWeight: 464.937483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN2O4S/c1-14(2)10-11-30-21-18(15-4-7-17(8-5-15)31(3,28)29)13-25-26(22(21)27)16-6-9-20(24)19(23)12-16/h4-9,12-14H,10-11H2,1-3H3