4-[1-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[1-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile Openeye Name: 4-[1-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazolo[3,4-b]pyridin-4-yl]benzonitrile CAS Name: 4-[1-cyclohexyl-6-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-b]pyridinyl]benzonitrile IUPAC Name: 4-[1-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Traditional Name: 4-[1-cyclohexyl-6-(4-mesylphenyl)pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCCCC4)C(=C2)C5=CC=C(C=C5)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCCCC4)C(=C2)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H24N4O2S/c1-33(31,32)22-13-11-20(12-14-22)25-15-23(19-9-7-18(16-27)8-10-19)24-17-28-30(26(24)29-25)21-5-3-2-4-6-21/h7-15,17,21H,2-6H2,1H3