2-(4-fluorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-5-(4-mesylphenyl)-4-(3-methylbut-3-enoxy)pyridazin-3-one Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H21FN2O4S/c1-15(2)12-13-29-21-20(16-4-10-19(11-5-16)30(3,27)28)14-24-25(22(21)26)18-8-6-17(23)7-9-18/h4-11,14H,1,12-13H2,2-3H3