N-[2,3-bis(oxidanyl)propyl]-4-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-4-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydroxypropyl)-4-(2-fluoro-4-methylsulfanyl-anilino)-1-methyl-6-oxo-pyridine-3-carboxamide CAS Name: N-(2,3-dihydroxypropyl)-4-[2-fluoro-4-(methylthio)anilino]-1-methyl-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydroxypropyl)-4-(2-fluoro-4-methylsulfanylanilino)-1-methyl-6-oxopyridine-3-carboxamide Traditional Name: 4-[2-fluoro-4-(methylthio)anilino]-N-glyceryl-6-keto-1-methyl-nicotinamide Formula: C17H20FN3O4S MolecularWeight: 381.421803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)SC)F)C(=O)NCC(CO)O

Isomeric SMILES

CN1C=C(C(=CC1=O)NC2=C(C=C(C=C2)SC)F)C(=O)NCC(CO)O

InChI

InChI=1S/C17H20FN3O4S/c1-21-8-12(17(25)19-7-10(23)9-22)15(6-16(21)24)20-14-4-3-11(26-2)5-13(14)18/h3-6,8,10,20,22-23H,7,9H2,1-2H3,(H,19,25)