4-[5-(3-chloranyl-5-fluoranyl-pyridin-2-yl)oxy-2-nitro-phenyl]sulfanyl-2-(methylsulfanylmethyl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[5-(3-chloranyl-5-fluoranyl-pyridin-2-yl)oxy-2-nitro-phenyl]sulfanyl-2-(methylsulfanylmethyl)-3-oxidanylidene-butanenitrile Openeye Name: 4-[5-[(3-chloro-5-fluoro-2-pyridyl)oxy]-2-nitro-phenyl]sulfanyl-2-(methylsulfanylmethyl)-3-oxo-butanenitrile CAS Name: 4-[[5-[(3-chloro-5-fluoro-2-pyridinyl)oxy]-2-nitrophenyl]thio]-2-[(methylthio)methyl]-3-oxobutanenitrile IUPAC Name: 4-[5-(3-chloro-5-fluoropyridin-2-yl)oxy-2-nitrophenyl]sulfanyl-2-(methylsulfanylmethyl)-3-oxobutanenitrile Traditional Name: 4-[[5-[(3-chloro-5-fluoro-2-pyridyl)oxy]-2-nitro-phenyl]thio]-3-keto-2-[(methylthio)methyl]butyronitrile Formula: C17H13ClFN3O4S2 MolecularWeight: 441.884223

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C#N)C(=O)CSC1=C(C=CC(=C1)OC2=C(C=C(C=N2)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCC(C#N)C(=O)CSC1=C(C=CC(=C1)OC2=C(C=C(C=N2)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClFN3O4S2/c1-27-8-10(6-20)15(23)9-28-16-5-12(2-3-14(16)22(24)25)26-17-13(18)4-11(19)7-21-17/h2-5,7,10H,8-9H2,1H3