5,5-dimethyl-3-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]carbamothioyl]cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]carbamothioyl]cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]carbamothioyl]cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-oxo-2-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]carbamothioyl]cyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]cyclohexen-1-olate Formula: C16H15F3NO2S- MolecularWeight: 342.35601

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F)[O-])C

InChI

InChI=1S/C16H16F3NO2S/c1-15(2)7-11(21)13(12(22)8-15)14(23)20-10-5-3-4-9(6-10)16(17,18)19/h3-6,21H,7-8H2,1-2H3,(H,20,23)/p-1