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

Systemtic Name: 2-[5-(5-fluoranyl-3-methyl-pyridin-2-yl)oxy-2-nitro-phenyl]sulfanyl-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile Openeye Name: 2-[5-[(5-fluoro-3-methyl-2-pyridyl)oxy]-2-nitro-phenyl]sulfanyl-3-oxo-2-(trifluoromethyl)pentanenitrile CAS Name: 2-[[5-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-nitrophenyl]thio]-3-oxo-2-(trifluoromethyl)pentanenitrile IUPAC Name: 2-[5-(5-fluoro-3-methylpyridin-2-yl)oxy-2-nitrophenyl]sulfanyl-3-oxo-2-(trifluoromethyl)pentanenitrile Traditional Name: 2-[[5-[(5-fluoro-3-methyl-2-pyridyl)oxy]-2-nitro-phenyl]thio]-3-keto-2-(trifluoromethyl)valeronitrile Formula: C18H13F4N3O4S MolecularWeight: 443.372133

Click to see the large picture

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)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C(C#N)(C(F)(F)F)SC1=C(C=CC(=C1)OC2=NC=C(C=C2C)F)[N+](=O)[O-]

InChI

InChI=1S/C18H13F4N3O4S/c1-3-15(26)17(9-23,18(20,21)22)30-14-7-12(4-5-13(14)25(27)28)29-16-10(2)6-11(19)8-24-16/h4-8H,3H2,1-2H3