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

Systemtic Name: 3-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoate Formula: C19H11ClF3N2O2S- MolecularWeight: 423.81605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C19H12ClF3N2O2S/c20-14-6-4-12(5-7-14)15-9-16(19(21,22)23)25-18(24-15)28-10-11-2-1-3-13(8-11)17(26)27/h1-9H,10H2,(H,26,27)/p-1