ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-oxo-4-[[1-oxo-3-(phenylthio)propyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-(3-phenylsulfanylpropanoylamino)pyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-[3-(phenylthio)propanoylamino]pyridazine-3-carboxylic acid ethyl ester Formula: C22H20FN3O4S MolecularWeight: 441.475303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCSC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCSC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O4S/c1-2-30-22(29)21-18(24-19(27)12-13-31-17-6-4-3-5-7-17)14-20(28)26(25-21)16-10-8-15(23)9-11-16/h3-11,14H,2,12-13H2,1H3,(H,24,27)