Ethyl 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}acetate

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Systematic / IUPAC Name: Ethyl {[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]sulfanyl}acetate

ID: Reference4545

Other Names: Acetic acid, 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}-, ethyl ester ;
Ethyl 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]sulfanyl}acetate

Formula: C12H12F3N3O2S

Spectral Data

Ethyl 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2016 7:13:15 AM
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Identificators

InChI InChI=1S/C12H12F3N3O2S/c1-3-20-9(19)6-21-11-17-8-4-7(12(13,14)15)5-16-10(8)18(11)2/h4-5H,3,6H2,1-2H3
InChI Key SBZJQYIQBBWHEK-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CSC1=NC2=C(N1C)N=CC(=C2)C(F)(F)F
CAS
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Other Names Acetic acid, 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}-, ethyl ester ;
Ethyl 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]sulfanyl}acetate

In Other Databases

ChemSpider 2026562
ChEMBL CHEMBL1459160
PubChem 2745077