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

Systemtic Name: 2-[3,4-bis(methylsulfanyl)-2-(trifluoromethyl)phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-[3,4-bis(methylsulfanyl)-2-(trifluoromethyl)benzoyl]-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[[3,4-bis(methylthio)-2-(trifluoromethyl)phenyl]-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-[3,4-bis(methylsulfanyl)-2-(trifluoromethyl)benzoyl]-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-[3,4-bis(methylthio)-2-(trifluoromethyl)benzoyl]-3-cyclopropyl-3-keto-propionitrile Formula: C16H14F3NO2S2 MolecularWeight: 373.41307

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)C(F)(F)F)SC

Isomeric SMILES

CSC1=C(C(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)C(F)(F)F)SC

InChI

InChI=1S/C16H14F3NO2S2/c1-23-11-6-5-9(12(15(11)24-2)16(17,18)19)14(22)10(7-20)13(21)8-3-4-8/h5-6,8,10H,3-4H2,1-2H3