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

Systemtic Name: 4-(3-bromanyl-4-fluoranyl-phenyl)-2-methyl-5-methylsulfinyl-7-oxidanylidene-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile Openeye Name: 4-(3-bromo-4-fluoro-phenyl)-2-methyl-5-methylsulfinyl-7-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile CAS Name: 4-(3-bromo-4-fluorophenyl)-2-methyl-5-methylsulfinyl-7-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile IUPAC Name: 4-(3-bromo-4-fluorophenyl)-2-methyl-5-methylsulfinyl-7-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-7-keto-2-methyl-5-methylsulfinyl-4,6-dihydro-1H-1,6-naphthyridine-3-carbonitrile Formula: C17H13BrFN3O2S MolecularWeight: 422.271423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NC(=O)C=C2N1)S(=O)C)C3=CC(=C(C=C3)F)Br)C#N

Isomeric SMILES

CC1=C(C(C2=C(NC(=O)C=C2N1)S(=O)C)C3=CC(=C(C=C3)F)Br)C#N

InChI

InChI=1S/C17H13BrFN3O2S/c1-8-10(7-20)15(9-3-4-12(19)11(18)5-9)16-13(21-8)6-14(23)22-17(16)25(2)24/h3-6,15,21H,1-2H3,(H,22,23)