2-tert-butyl-4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-tert-butyl-4-isopentyloxy-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-tert-butyl-4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-tert-butyl-4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-tert-butyl-4-isoamoxy-5-(4-mesylphenyl)pyridazin-3-one Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-14(2)11-12-26-18-17(13-21-22(19(18)23)20(3,4)5)15-7-9-16(10-8-15)27(6,24)25/h7-10,13-14H,11-12H2,1-6H3