2-pyridin-4-ylsulfanyl-N-[4-(3,4,6-trimethylpyrazolo[3,4-b]pyridin-1-yl)phenyl]ethanamide

Systemtic Name: 2-pyridin-4-ylsulfanyl-N-[4-(3,4,6-trimethylpyrazolo[3,4-b]pyridin-1-yl)phenyl]ethanamide Openeye Name: 2-(4-pyridylsulfanyl)-N-[4-(3,4,6-trimethylpyrazolo[3,4-b]pyridin-1-yl)phenyl]acetamide CAS Name: 2-(pyridin-4-ylthio)-N-[4-(3,4,6-trimethyl-1-pyrazolo[3,4-b]pyridinyl)phenyl]acetamide IUPAC Name: 2-pyridin-4-ylsulfanyl-N-[4-(3,4,6-trimethylpyrazolo[3,4-b]pyridin-1-yl)phenyl]acetamide Traditional Name: 2-(4-pyridylthio)-N-[4-(3,4,6-trimethylpyrazolo[3,4-b]pyridin-1-yl)phenyl]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=NN2C3=CC=C(C=C3)NC(=O)CSC4=CC=NC=C4)C)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=NN2C3=CC=C(C=C3)NC(=O)CSC4=CC=NC=C4)C)C

InChI

InChI=1S/C22H21N5OS/c1-14-12-15(2)24-22-21(14)16(3)26-27(22)18-6-4-17(5-7-18)25-20(28)13-29-19-8-10-23-11-9-19/h4-12H,13H2,1-3H3,(H,25,28)