2-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(2-bromo-4-fluorophenyl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(2-bromo-4-fluoro-benzyl)thio]-6-methyl-nicotinonitrile Formula: C16H12BrFN2OS MolecularWeight: 379.246683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=C(C=C(C=C2)F)Br)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=C(C=C(C=C2)F)Br)C#N)C(=O)C

InChI

InChI=1S/C16H12BrFN2OS/c1-9-14(10(2)21)5-12(7-19)16(20-9)22-8-11-3-4-13(18)6-15(11)17/h3-6H,8H2,1-2H3