4-(3-bromanyl-4-fluoranyl-phenyl)-5-butanoylsulfinyl-2-methyl-7-oxidanylidene-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile

Systemtic Name: 4-(3-bromanyl-4-fluoranyl-phenyl)-5-butanoylsulfinyl-2-methyl-7-oxidanylidene-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile Openeye Name: 4-(3-bromo-4-fluoro-phenyl)-5-butanoylsulfinyl-2-methyl-7-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile CAS Name: 4-(3-bromo-4-fluorophenyl)-2-methyl-7-oxo-5-(1-oxobutylsulfinyl)-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile IUPAC Name: 4-(3-bromo-4-fluorophenyl)-5-butanoylsulfinyl-2-methyl-7-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-5-butyrylsulfinyl-7-keto-2-methyl-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile Formula: C20H17BrFN3O3S MolecularWeight: 478.334683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)S(=O)C1=C2C(C(=C(NC2=CC(=O)N1)C)C#N)C3=CC(=C(C=C3)F)Br

Isomeric SMILES

CCCC(=O)S(=O)C1=C2C(C(=C(NC2=CC(=O)N1)C)C#N)C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C20H17BrFN3O3S/c1-3-4-17(27)29(28)20-19-15(8-16(26)25-20)24-10(2)12(9-23)18(19)11-5-6-14(22)13(21)7-11/h5-8,18,24H,3-4H2,1-2H3,(H,25,26)