1,3-dimethyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3-dimethyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-N-[2-(phenylmethylthio)ethyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NCCSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NCCSCC3=CC=CC=C3)C

InChI

InChI=1S/C18H20N4OS/c1-13-16-10-15(11-20-17(16)22(2)21-13)18(23)19-8-9-24-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,23)