1-propan-2-yl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1-propan-2-yl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-isopropyl-N-[2-(3-thienylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1-propan-2-yl-N-[2-(3-thiophenylmethylthio)phenyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-propan-2-yl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-isopropyl-N-[2-(3-thenylthio)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C21H20N4OS2/c1-14(2)25-20-16(11-23-25)9-17(10-22-20)21(26)24-18-5-3-4-6-19(18)28-13-15-7-8-27-12-15/h3-12,14H,13H2,1-2H3,(H,24,26)