methyl 2-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C14H10ClF3N2O2S MolecularWeight: 362.75461

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H10ClF3N2O2S/c1-22-12(21)7-23-13-19-10(6-11(20-13)14(16,17)18)8-2-4-9(15)5-3-8/h2-6H,7H2,1H3