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

Systemtic Name: 2-(3-chlorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(3-methylbut-3-enoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-5-(4-mesylphenyl)-4-(3-methylbut-3-enoxy)pyridazin-3-one Formula: C22H21ClN2O4S MolecularWeight: 444.93114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4S/c1-15(2)11-12-29-21-20(16-7-9-19(10-8-16)30(3,27)28)14-24-25(22(21)26)18-6-4-5-17(23)13-18/h4-10,13-14H,1,11-12H2,2-3H3