3-(methylsulfanylmethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: 3-[(methylthio)methyl]-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-2-benzofurancarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-benzofuran-2-carboxamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-[(methylthio)methyl]coumarilamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

InChI

InChI=1S/C20H20N4O2S/c1-12(2)24-19-13(9-22-24)8-14(10-21-19)23-20(25)18-16(11-27-3)15-6-4-5-7-17(15)26-18/h4-10,12H,11H2,1-3H3,(H,23,25)