2-(cyanomethylsulfanyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)benzamide CAS Name: 2-(cyanomethylthio)-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)benzamide Formula: C18H17N5OS MolecularWeight: 351.42548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C18H17N5OS/c1-12(2)23-17-13(10-21-23)9-14(11-20-17)22-18(24)15-5-3-4-6-16(15)25-8-7-19/h3-6,9-12H,8H2,1-2H3,(H,22,24)