2-(1-methylcyclopropyl)carbonyl-3-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1-methylcyclopropyl)carbonyl-3-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(1-methylcyclopropanecarbonyl)-3-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-oxo-propanenitrile CAS Name: 2-[(1-methylcyclopropyl)-oxomethyl]-3-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(1-methylcyclopropanecarbonyl)-3-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-3-oxopropanenitrile Traditional Name: 3-keto-2-[4-mesyl-2-(trifluoromethyl)benzoyl]-3-(1-methylcyclopropyl)propionitrile Formula: C16H14F3NO4S MolecularWeight: 373.34687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(=O)C(C#N)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC1(CC1)C(=O)C(C#N)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C16H14F3NO4S/c1-15(5-6-15)14(22)11(8-20)13(21)10-4-3-9(25(2,23)24)7-12(10)16(17,18)19/h3-4,7,11H,5-6H2,1-2H3