methyl 4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C15H12F3NO2S MolecularWeight: 327.32149

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H12F3NO2S/c1-21-14(20)11-4-2-10(3-5-11)9-22-13-7-6-12(8-19-13)15(16,17)18/h2-8H,9H2,1H3