2-[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoic acid Openeye Name: 2-[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetic acid CAS Name: 2-[[3-methyl-2-propyl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl]thio]acetic acid IUPAC Name: 2-[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetic acid Traditional Name: 2-[[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]thio]acetic acid Formula: C13H14F3N3O2S MolecularWeight: 333.32937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2C(=CC(=NC2=N1)SCC(=O)O)C(F)(F)F)C

Isomeric SMILES

CCCN1C(=C2C(=CC(=NC2=N1)SCC(=O)O)C(F)(F)F)C

InChI

InChI=1S/C13H14F3N3O2S/c1-3-4-19-7(2)11-8(13(14,15)16)5-9(17-12(11)18-19)22-6-10(20)21/h5H,3-4,6H2,1-2H3,(H,20,21)