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

Systemtic Name: 3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: 3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoate IUPAC Name: 3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionate Formula: C14H9ClF3N2O2S- MolecularWeight: 361.74667

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)SCCC(=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C14H10ClF3N2O2S/c15-9-3-1-8(2-4-9)10-7-11(14(16,17)18)20-13(19-10)23-6-5-12(21)22/h1-4,7H,5-6H2,(H,21,22)/p-1