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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C16H14ClFN2S MolecularWeight: 320.812163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C16H14ClFN2S/c1-9-10(2)12(7-19)16(20-11(9)3)21-8-13-14(17)5-4-6-15(13)18/h4-6H,8H2,1-3H3