6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-pyrimidinolate IUPAC Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-tert-butyl-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidin-4-olate Formula: C16H16F3N2OS- MolecularWeight: 341.37125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC(=CC=C2)C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC(=CC=C2)C(F)(F)F)[O-]

InChI

InChI=1S/C16H17F3N2OS/c1-15(2,3)12-8-13(22)21-14(20-12)23-9-10-5-4-6-11(7-10)16(17,18)19/h4-8H,9H2,1-3H3,(H,20,21,22)/p-1