ethyl 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate CAS Name: 2-[[3-methyl-6-(trifluoromethyl)-2-imidazo[4,5-b]pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]thio]acetic acid ethyl ester Formula: C12H12F3N3O2S MolecularWeight: 319.30279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1C)N=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1C)N=CC(=C2)C(F)(F)F

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