2-[3,4-bis(fluoranyl)phenyl]-4-butoxy-5-(4-methylsulfanylphenyl)pyridazin-3-one

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-4-butoxy-5-(4-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 4-butoxy-2-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 4-butoxy-2-(3,4-difluorophenyl)-5-[4-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 4-butoxy-2-(3,4-difluorophenyl)-5-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 4-butoxy-2-(3,4-difluorophenyl)-5-[4-(methylthio)phenyl]pyridazin-3-one Formula: C21H20F2N2O2S MolecularWeight: 402.457506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H20F2N2O2S/c1-3-4-11-27-20-17(14-5-8-16(28-2)9-6-14)13-24-25(21(20)26)15-7-10-18(22)19(23)12-15/h5-10,12-13H,3-4,11H2,1-2H3