N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCSCC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCSCC4=CC=CC=C4C#N)C

InChI

InChI=1S/C25H23N5OS/c1-17-23-21(14-22(18-8-4-3-5-9-18)28-24(23)30(2)29-17)25(31)27-12-13-32-16-20-11-7-6-10-19(20)15-26/h3-11,14H,12-13,16H2,1-2H3,(H,27,31)