4-[2-chloranyl-5-(5-fluoranyl-3-methyl-pyridin-2-yl)oxy-phenyl]sulfanyl-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile

Systemtic Name: 4-[2-chloranyl-5-(5-fluoranyl-3-methyl-pyridin-2-yl)oxy-phenyl]sulfanyl-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile Openeye Name: 4-[2-chloro-5-[(5-fluoro-3-methyl-2-pyridyl)oxy]phenyl]sulfanyl-3-oxo-2-(trifluoromethyl)pentanenitrile CAS Name: 4-[[2-chloro-5-[(5-fluoro-3-methyl-2-pyridinyl)oxy]phenyl]thio]-3-oxo-2-(trifluoromethyl)pentanenitrile IUPAC Name: 4-[2-chloro-5-(5-fluoro-3-methylpyridin-2-yl)oxyphenyl]sulfanyl-3-oxo-2-(trifluoromethyl)pentanenitrile Traditional Name: 4-[[2-chloro-5-[(5-fluoro-3-methyl-2-pyridyl)oxy]phenyl]thio]-3-keto-2-(trifluoromethyl)valeronitrile Formula: C18H13ClF4N2O2S MolecularWeight: 432.819633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1OC2=CC(=C(C=C2)Cl)SC(C)C(=O)C(C#N)C(F)(F)F)F

Isomeric SMILES

CC1=CC(=CN=C1OC2=CC(=C(C=C2)Cl)SC(C)C(=O)C(C#N)C(F)(F)F)F

InChI

InChI=1S/C18H13ClF4N2O2S/c1-9-5-11(20)8-25-17(9)27-12-3-4-14(19)15(6-12)28-10(2)16(26)13(7-24)18(21,22)23/h3-6,8,10,13H,1-2H3