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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide Formula: C16H15BrN4OS MolecularWeight: 391.2855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4OS/c1-10-14-7-12(8-18-16(14)21(2)20-10)19-15(22)9-23-13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3,(H,19,22)