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

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloranyl-2-methylsulfanyl-phenyl)-2-methanoyl-3-oxidanylidene-propanenitrile Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloro-2-methylsulfanyl-phenyl)-2-formyl-3-oxo-propanenitrile CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-chloro-2-(methylthio)phenyl]-2-formyl-3-oxopropanenitrile IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-(4-chloro-2-methylsulfanylphenyl)-2-formyl-3-oxopropanenitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-chloro-2-(methylthio)phenyl]-2-formyl-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=O)(C#N)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

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

InChI

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