6-(4-fluorophenyl)-2-(3-methylbut-1-en-2-yl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 6-(4-fluorophenyl)-2-(3-methylbut-1-en-2-yl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 6-(4-fluorophenyl)-2-(2-methyl-1-methylene-propyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 6-(4-fluorophenyl)-2-(3-methylbut-1-en-2-yl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 6-(4-fluorophenyl)-2-(3-methylbut-1-en-2-yl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 6-(4-fluorophenyl)-2-(1-isopropylvinyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C)N1C(=O)C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C(=C)N1C(=O)C=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21FN2O3S/c1-14(2)15(3)25-21(26)13-20(16-7-11-19(12-8-16)29(4,27)28)22(24-25)17-5-9-18(23)10-6-17/h5-14H,3H2,1-2,4H3