6-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 6-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 6-methyl-N-[2-(phenylmethylthio)ethyl]-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-6-methyl-1-(2-thenyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS2/c1-16-12-19(22(27)23-9-11-28-15-17-6-3-2-4-7-17)20-13-24-26(21(20)25-16)14-18-8-5-10-29-18/h2-8,10,12-13H,9,11,14-15H2,1H3,(H,23,27)