2-(4-fluorophenyl)-4-(3-methylbutyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-4-(3-methylbutyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-4-isopentyl-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-4-(3-methylbutyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-4-(3-methylbutyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-4-isoamyl-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23FN2O3S/c1-15(2)4-13-20-21(16-5-11-19(12-6-16)29(3,27)28)14-24-25(22(20)26)18-9-7-17(23)8-10-18/h5-12,14-15H,4,13H2,1-3H3