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

Systemtic Name: 2-[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]carbonyl-3-(1-methylcyclopropyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-[4-ethylsulfonyl-2-(trifluoromethyl)benzoyl]-3-(1-methylcyclopropyl)-3-oxo-propanenitrile CAS Name: 2-[[4-ethylsulfonyl-2-(trifluoromethyl)phenyl]-oxomethyl]-3-(1-methylcyclopropyl)-3-oxopropanenitrile IUPAC Name: 2-[4-ethylsulfonyl-2-(trifluoromethyl)benzoyl]-3-(1-methylcyclopropyl)-3-oxopropanenitrile Traditional Name: 2-[4-esyl-2-(trifluoromethyl)benzoyl]-3-keto-3-(1-methylcyclopropyl)propionitrile Formula: C17H16F3NO4S MolecularWeight: 387.37345

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2(CC2)C)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2(CC2)C)C(F)(F)F

InChI

InChI=1S/C17H16F3NO4S/c1-3-26(24,25)10-4-5-11(13(8-10)17(18,19)20)14(22)12(9-21)15(23)16(2)6-7-16/h4-5,8,12H,3,6-7H2,1-2H3