2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]carbonyl-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-methylsulfonyl-2-(trifluoromethyl)benzoyl]-3-oxo-butanenitrile CAS Name: 2-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-oxomethyl]-3-oxobutanenitrile IUPAC Name: 2-[4-methylsulfonyl-2-(trifluoromethyl)benzoyl]-3-oxobutanenitrile Traditional Name: 3-keto-2-[4-mesyl-2-(trifluoromethyl)benzoyl]butyronitrile Formula: C13H10F3NO4S MolecularWeight: 333.28301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC(=O)C(C#N)C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C13H10F3NO4S/c1-7(18)10(6-17)12(19)9-4-3-8(22(2,20)21)5-11(9)13(14,15)16/h3-5,10H,1-2H3