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

Systemtic Name: N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-(diphenylmethyl)sulfanyl-ethanamide Openeye Name: 2-benzhydrylsulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide CAS Name: N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-2-[(diphenylmethyl)thio]acetamide IUPAC Name: 2-benzhydrylsulfanyl-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide Traditional Name: 2-(benzhydrylthio)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS/c1-16-20-13-19(14-24-23(20)27(2)26-16)25-21(28)15-29-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,22H,15H2,1-2H3,(H,25,28)