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

Systemtic Name: 5-butanoyl-2-ethyl-4-[(3-fluorophenyl)amino]-6-(4-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 5-butanoyl-2-ethyl-4-(3-fluoroanilino)-6-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 2-ethyl-4-(3-fluoroanilino)-6-[4-(methylthio)phenyl]-5-(1-oxobutyl)-3-pyridazinone IUPAC Name: 5-butanoyl-2-ethyl-4-(3-fluoroanilino)-6-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 5-butyryl-2-ethyl-4-(3-fluoroanilino)-6-[4-(methylthio)phenyl]pyridazin-3-one Formula: C23H24FN3O2S MolecularWeight: 425.518963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC)NC3=CC(=CC=C3)F

Isomeric SMILES

CCCC(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC)NC3=CC(=CC=C3)F

InChI

InChI=1S/C23H24FN3O2S/c1-4-7-19(28)20-21(15-10-12-18(30-3)13-11-15)26-27(5-2)23(29)22(20)25-17-9-6-8-16(24)14-17/h6,8-14,25H,4-5,7H2,1-3H3