N-(3-phenylsulfanylbutyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

Systemtic Name: N-(3-phenylsulfanylbutyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide Openeye Name: N-(3-phenylsulfanylbutyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide CAS Name: N-[3-(phenylthio)butyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide IUPAC Name: N-(3-phenylsulfanylbutyl)-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide Traditional Name: N-[3-(phenylthio)butyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide Formula: C16H18N4O2S2 MolecularWeight: 362.46972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNS(=O)(=O)C1=C2C=CC=NC2=NN1)SC3=CC=CC=C3

Isomeric SMILES

CC(CCNS(=O)(=O)C1=C2C=CC=NC2=NN1)SC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2S2/c1-12(23-13-6-3-2-4-7-13)9-11-18-24(21,22)16-14-8-5-10-17-15(14)19-20-16/h2-8,10,12,18H,9,11H2,1H3,(H,17,19,20)