N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenyl-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenyl-2-phenylsulfanyl-ethanamide Openeye Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenyl-2-phenylsulfanyl-acetamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-phenyl-2-(phenylthio)acetamide IUPAC Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenyl-2-phenylsulfanylacetamide Traditional Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-phenyl-2-(phenylthio)acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4OS/c1-15-19-13-17(14-23-21(19)26(2)25-15)24-22(27)20(16-9-5-3-6-10-16)28-18-11-7-4-8-12-18/h3-14,20H,1-2H3,(H,24,27)