ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-[2-(phenylmethylsulfanyl)ethanoylamino]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-[2-(phenylmethylsulfanyl)ethanoylamino]pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2-benzylsulfanylacetyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-oxo-4-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzylsulfanylacetyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[[2-(benzylthio)acetyl]amino]-1-(4-fluorophenyl)-6-keto-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)CSCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CSCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

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