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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C#N)(C(F)(F)F)SC1=C(C=CC(=C1)OC2=NC=C(C=C2C)F)Cl

Isomeric SMILES

CCC(=O)C(C#N)(C(F)(F)F)SC1=C(C=CC(=C1)OC2=NC=C(C=C2C)F)Cl

InChI

InChI=1S/C18H13ClF4N2O2S/c1-3-15(26)17(9-24,18(21,22)23)28-14-7-12(4-5-13(14)19)27-16-10(2)6-11(20)8-25-16/h4-8H,3H2,1-2H3