5-chloranyl-4-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-1-methyl-6-oxidanylidene-N-[(2S)-2-oxidanylpropoxy]pyridazine-3-carboxamide

Systemtic Name: 5-chloranyl-4-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-1-methyl-6-oxidanylidene-N-[(2S)-2-oxidanylpropoxy]pyridazine-3-carboxamide Openeye Name: 5-chloro-4-(2-fluoro-4-methylsulfanyl-anilino)-N-[(2S)-2-hydroxypropoxy]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: 5-chloro-4-[2-fluoro-4-(methylthio)anilino]-N-[(2S)-2-hydroxypropoxy]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: 5-chloro-4-(2-fluoro-4-methylsulfanylanilino)-N-[(2S)-2-hydroxypropoxy]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: 5-chloro-4-[2-fluoro-4-(methylthio)anilino]-N-[(2S)-2-hydroxypropoxy]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C16H18ClFN4O4S MolecularWeight: 416.854923

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Descriptors Computed from Structure

Canonical SMILES:

CC(CONC(=O)C1=NN(C(=O)C(=C1NC2=C(C=C(C=C2)SC)F)Cl)C)O

Isomeric SMILES

C[C@@H](CONC(=O)C1=NN(C(=O)C(=C1NC2=C(C=C(C=C2)SC)F)Cl)C)O

InChI

InChI=1S/C16H18ClFN4O4S/c1-8(23)7-26-21-15(24)14-13(12(17)16(25)22(2)20-14)19-11-5-4-9(27-3)6-10(11)18/h4-6,8,19,23H,7H2,1-3H3,(H,21,24)/t8-/m0/s1