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

Systemtic Name: 4-[5-(5-fluoranyl-3-methyl-pyridin-2-yl)oxy-2-nitro-phenyl]sulfanyl-3-oxidanylidene-2-(trifluoromethyl)pentanenitrile Openeye Name: 4-[5-[(5-fluoro-3-methyl-2-pyridyl)oxy]-2-nitro-phenyl]sulfanyl-3-oxo-2-(trifluoromethyl)pentanenitrile CAS Name: 4-[[5-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-nitrophenyl]thio]-3-oxo-2-(trifluoromethyl)pentanenitrile IUPAC Name: 4-[5-(5-fluoro-3-methylpyridin-2-yl)oxy-2-nitrophenyl]sulfanyl-3-oxo-2-(trifluoromethyl)pentanenitrile Traditional Name: 4-[[5-[(5-fluoro-3-methyl-2-pyridyl)oxy]-2-nitro-phenyl]thio]-3-keto-2-(trifluoromethyl)valeronitrile Formula: C18H13F4N3O4S MolecularWeight: 443.372133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1OC2=CC(=C(C=C2)[N+](=O)[O-])SC(C)C(=O)C(C#N)C(F)(F)F)F

Isomeric SMILES

CC1=CC(=CN=C1OC2=CC(=C(C=C2)[N+](=O)[O-])SC(C)C(=O)C(C#N)C(F)(F)F)F

InChI

InChI=1S/C18H13F4N3O4S/c1-9-5-11(19)8-24-17(9)29-12-3-4-14(25(27)28)15(6-12)30-10(2)16(26)13(7-23)18(20,21)22/h3-6,8,10,13H,1-2H3