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

Systemtic Name: 2-(3-bromophenyl)-4-(3-methyl-2-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-bromophenyl)-4-(2-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-bromophenyl)-4-(2-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-bromophenyl)-4-(2-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-bromophenyl)-4-(2-hydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23BrN2O5S MolecularWeight: 507.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC(C)C(COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C22H23BrN2O5S/c1-14(2)20(26)13-30-21-19(15-7-9-18(10-8-15)31(3,28)29)12-24-25(22(21)27)17-6-4-5-16(23)11-17/h4-12,14,20,26H,13H2,1-3H3