5-[2-fluoranyl-6-(trifluoromethyl)phenyl]-2-phenylsulfanyl-pyrimido[1,6-b]pyridazin-6-one

Systemtic Name: 5-[2-fluoranyl-6-(trifluoromethyl)phenyl]-2-phenylsulfanyl-pyrimido[1,6-b]pyridazin-6-one Openeye Name: 5-[2-fluoro-6-(trifluoromethyl)phenyl]-2-phenylsulfanyl-pyrimido[1,6-b]pyridazin-6-one CAS Name: 5-[2-fluoro-6-(trifluoromethyl)phenyl]-2-(phenylthio)-6-pyrimido[1,6-b]pyridazinone IUPAC Name: 5-[2-fluoro-6-(trifluoromethyl)phenyl]-2-phenylsulfanylpyrimido[1,6-b]pyridazin-6-one Traditional Name: 5-[2-fluoro-6-(trifluoromethyl)phenyl]-2-(phenylthio)pyrimido[1,6-b]pyridazin-6-one Formula: C20H11F4N3OS MolecularWeight: 417.379453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NN3C=NC(=O)C(=C3C=C2)C4=C(C=CC=C4F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=NN3C=NC(=O)C(=C3C=C2)C4=C(C=CC=C4F)C(F)(F)F

InChI

InChI=1S/C20H11F4N3OS/c21-14-8-4-7-13(20(22,23)24)17(14)18-15-9-10-16(26-27(15)11-25-19(18)28)29-12-5-2-1-3-6-12/h1-11H