3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoate Formula: C19H12F3N2O2S- MolecularWeight: 389.37099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H13F3N2O2S/c20-19(21,22)16-10-15(13-6-2-1-3-7-13)23-18(24-16)27-11-12-5-4-8-14(9-12)17(25)26/h1-10H,11H2,(H,25,26)/p-1