4-methylsulfanyl-3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: 4-(methylthio)-3-nitro-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-(methylthio)-3-nitro-benzamide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c1-10(2)21-16-12(8-19-21)6-13(9-18-16)20-17(23)11-4-5-15(26-3)14(7-11)22(24)25/h4-10H,1-3H3,(H,20,23)