1-(phenylmethyl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NCCSCC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)NCCSCC4=CSC=C4

InChI

InChI=1S/C21H20N4OS2/c26-21(22-7-9-28-15-17-6-8-27-14-17)19-10-18-12-24-25(20(18)23-11-19)13-16-4-2-1-3-5-16/h1-6,8,10-12,14H,7,9,13,15H2,(H,22,26)