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

Systemtic Name: 4-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-1,5-dimethyl-6-oxidanylidene-N-[(2S)-2-oxidanylpropoxy]pyridazine-3-carboxamide Openeye Name: 4-(2-fluoro-4-methylsulfanyl-anilino)-N-[(2S)-2-hydroxypropoxy]-1,5-dimethyl-6-oxo-pyridazine-3-carboxamide CAS Name: 4-[2-fluoro-4-(methylthio)anilino]-N-[(2S)-2-hydroxypropoxy]-1,5-dimethyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylsulfanylanilino)-N-[(2S)-2-hydroxypropoxy]-1,5-dimethyl-6-oxopyridazine-3-carboxamide Traditional Name: 4-[2-fluoro-4-(methylthio)anilino]-N-[(2S)-2-hydroxypropoxy]-6-keto-1,5-dimethyl-pyridazine-3-carboxamide Formula: C17H21FN4O4S MolecularWeight: 396.436443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN(C1=O)C)C(=O)NOCC(C)O)NC2=C(C=C(C=C2)SC)F

Isomeric SMILES

CC1=C(C(=NN(C1=O)C)C(=O)NOC[C@H](C)O)NC2=C(C=C(C=C2)SC)F

InChI

InChI=1S/C17H21FN4O4S/c1-9(23)8-26-21-16(24)15-14(10(2)17(25)22(3)20-15)19-13-6-5-11(27-4)7-12(13)18/h5-7,9,19,23H,8H2,1-4H3,(H,21,24)/t9-/m0/s1