N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylsulfanyl-acetamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-(phenylthio)acetamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenylsulfanylacetamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-(phenylthio)acetamide Formula: C16H16N4OS MolecularWeight: 312.38944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C16H16N4OS/c1-11-14-8-12(9-17-16(14)20(2)19-11)18-15(21)10-22-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,21)