2-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(4-chloranyl-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(4-chloranyl-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-chloro-2-methylsulfanyl-phenyl)-3-oxo-propanenitrile CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-[4-chloro-2-(methylthio)phenyl]-3-oxopropanenitrile IUPAC Name: 2-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-chloro-2-methylsulfanylphenyl)-3-oxopropanenitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)benzoyl]-3-[4-chloro-2-(methylthio)phenyl]-3-keto-propionitrile Formula: C19H10ClF6NO2S MolecularWeight: 465.796619

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)Cl)C(=O)C(C#N)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=C(C=CC(=C1)Cl)C(=O)C(C#N)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H10ClF6NO2S/c1-30-15-7-12(20)2-3-13(15)17(29)14(8-27)16(28)9-4-10(18(21,22)23)6-11(5-9)19(24,25)26/h2-7,14H,1H3