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

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-4-(3-methylbutyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-4-isopentyl-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-4-(3-methylbutyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4-(3-methylbutyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-4-isoamyl-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H22ClFN2O3S MolecularWeight: 448.938083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=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)CCC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H22ClFN2O3S/c1-14(2)4-10-18-19(15-5-8-17(9-6-15)30(3,28)29)13-25-26(22(18)27)16-7-11-21(24)20(23)12-16/h5-9,11-14H,4,10H2,1-3H3