N-(3-chloranyl-4-fluoranyl-phenyl)-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1,3-dimethyl-4-propan-2-ylsulfanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-isopropylsulfanyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-(propan-2-ylthio)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(isopropylthio)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C18H18ClFN4OS MolecularWeight: 392.878123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)SC(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C18H18ClFN4OS/c1-9(2)26-16-12(8-21-17-15(16)10(3)23-24(17)4)18(25)22-11-5-6-14(20)13(19)7-11/h5-9H,1-4H3,(H,22,25)