5-ethanoyl-2-ethyl-4-[(3-fluorophenyl)amino]-6-(4-methylsulfanylphenyl)pyridazin-3-one

Systemtic Name: 5-ethanoyl-2-ethyl-4-[(3-fluorophenyl)amino]-6-(4-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 5-acetyl-2-ethyl-4-(3-fluoroanilino)-6-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 5-acetyl-2-ethyl-4-(3-fluoroanilino)-6-[4-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 5-acetyl-2-ethyl-4-(3-fluoroanilino)-6-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 5-acetyl-2-ethyl-4-(3-fluoroanilino)-6-[4-(methylthio)phenyl]pyridazin-3-one Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)SC)C(=O)C)NC3=CC(=CC=C3)F

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=C(C=C2)SC)C(=O)C)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FN3O2S/c1-4-25-21(27)20(23-16-7-5-6-15(22)12-16)18(13(2)26)19(24-25)14-8-10-17(28-3)11-9-14/h5-12,23H,4H2,1-3H3