methyl 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C14H11F3N2O2S MolecularWeight: 328.30955

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1CSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2S/c1-21-12(20)10-5-3-2-4-9(10)8-22-13-18-7-6-11(19-13)14(15,16)17/h2-7H,8H2,1H3