6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: 6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: 6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-tert-butyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarboxylate IUPAC Name: 6-tert-butyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-tert-butyl-2-(methylthio)-4-(trifluoromethyl)nicotinate Formula: C12H13F3NO2S- MolecularWeight: 292.29733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C(=O)[O-])SC

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C(=O)[O-])SC

InChI

InChI=1S/C12H14F3NO2S/c1-11(2,3)7-5-6(12(13,14)15)8(10(17)18)9(16-7)19-4/h5H,1-4H3,(H,17,18)/p-1