N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-1,6-diphenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C31H28N6OS MolecularWeight: 532.65862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC(CCSC)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC(CCSC)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C31H28N6OS/c1-20-28-23(31(38)35-26(17-18-39-2)29-32-24-15-9-10-16-25(24)33-29)19-27(21-11-5-3-6-12-21)34-30(28)37(36-20)22-13-7-4-8-14-22/h3-16,19,26H,17-18H2,1-2H3,(H,32,33)(H,35,38)