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

Systemtic Name: 2-ethylsulfonylcarbonyl-3-(1-methylcyclopropyl)-3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]propanenitrile Openeye Name: 2-ethylsulfonylcarbonyl-3-(1-methylcyclopropyl)-3-oxo-2-[4-(trifluoromethyl)phenyl]propanenitrile CAS Name: 2-[ethylsulfonyl(oxo)methyl]-3-(1-methylcyclopropyl)-3-oxo-2-[4-(trifluoromethyl)phenyl]propanenitrile IUPAC Name: 2-ethylsulfonylcarbonyl-3-(1-methylcyclopropyl)-3-oxo-2-[4-(trifluoromethyl)phenyl]propanenitrile Traditional Name: 2-esylcarbonyl-3-keto-3-(1-methylcyclopropyl)-2-[4-(trifluoromethyl)phenyl]propionitrile Formula: C17H16F3NO4S MolecularWeight: 387.37345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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