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

Systemtic Name: 2-tert-butyl-4-(3-methyl-3-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-tert-butyl-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-tert-butyl-4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-tert-butyl-4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-tert-butyl-4-(3-hydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)OCCC(C)(C)O

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)OCCC(C)(C)O

InChI

InChI=1S/C20H28N2O5S/c1-19(2,3)22-18(23)17(27-12-11-20(4,5)24)16(13-21-22)14-7-9-15(10-8-14)28(6,25)26/h7-10,13,24H,11-12H2,1-6H3