2-(2-cyanophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)benzamide Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

InChI

InChI=1S/C22H17N5OS/c1-14-18-11-16(13-24-21(18)27(2)26-14)25-22(28)17-8-4-6-10-20(17)29-19-9-5-3-7-15(19)12-23/h3-11,13H,1-2H3,(H,25,28)