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

Systemtic Name: methyl 4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C15H13F3N2O2S MolecularWeight: 342.33613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O2S/c1-9-7-12(15(16,17)18)20-14(19-9)23-8-10-3-5-11(6-4-10)13(21)22-2/h3-7H,8H2,1-2H3