4-(3-methyl-3-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)-2-phenyl-pyridazin-3-one

Systemtic Name: 4-(3-methyl-3-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)-2-phenyl-pyridazin-3-one Openeye Name: 4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)-2-phenyl-pyridazin-3-one CAS Name: 4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-phenyl-3-pyridazinone IUPAC Name: 4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-phenylpyridazin-3-one Traditional Name: 4-(3-hydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)-2-phenyl-pyridazin-3-one Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-22(2,26)13-14-29-20-19(16-9-11-18(12-10-16)30(3,27)28)15-23-24(21(20)25)17-7-5-4-6-8-17/h4-12,15,26H,13-14H2,1-3H3