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

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C16H14BrFN2S MolecularWeight: 365.263163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C16H14BrFN2S/c1-9-10(2)14(7-19)16(20-11(9)3)21-8-12-4-5-13(17)6-15(12)18/h4-6H,8H2,1-3H3