3-nitro-4-[2-oxidanylidene-2-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-[(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c1-10(2)23-18-12(7-21-23)5-13(8-20-18)22-16(25)9-29-15-4-3-11(17(19)26)6-14(15)24(27)28/h3-8,10H,9H2,1-2H3,(H2,19,26)(H,22,25)