4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

Systemtic Name: 4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Openeye Name: 4-isopentyloxy-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one CAS Name: 4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-3-pyridazinone IUPAC Name: 4-(3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Traditional Name: 4-isoamoxy-5-(4-mesylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Formula: C23H23F3N2O4S MolecularWeight: 480.49993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23F3N2O4S/c1-15(2)11-12-32-21-20(16-7-9-19(10-8-16)33(3,30)31)14-27-28(22(21)29)18-6-4-5-17(13-18)23(24,25)26/h4-10,13-15H,11-12H2,1-3H3