6-cyclopropyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 6-cyclopropyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 6-cyclopropyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H22N6OS2 MolecularWeight: 450.57968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=NN=C(S4)SCC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)NC4=NN=C(S4)SCC5=CC=CC=C5

InChI

InChI=1S/C22H22N6OS2/c1-13(2)28-19-17(11-23-28)16(10-18(24-19)15-8-9-15)20(29)25-21-26-27-22(31-21)30-12-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,25,26,29)