5-(2-chloranyl-4-methoxy-phenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one

Systemtic Name: 5-(2-chloranyl-4-methoxy-phenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one Openeye Name: 5-(2-chloro-4-methoxy-phenyl)-2-(4-fluorophenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one CAS Name: 5-(2-chloro-4-methoxyphenyl)-2-[(4-fluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone IUPAC Name: 5-(2-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one Traditional Name: 5-(2-chloro-4-methoxy-phenyl)-2-[(4-fluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one Formula: C20H13ClFN3O2S MolecularWeight: 413.852523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C3C=CC(=NN3C=NC2=O)SC4=CC=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C3C=CC(=NN3C=NC2=O)SC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C20H13ClFN3O2S/c1-27-13-4-7-15(16(21)10-13)19-17-8-9-18(24-25(17)11-23-20(19)26)28-14-5-2-12(22)3-6-14/h2-11H,1H3