4-[6-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[6-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[6-[(4-nitrophenyl)methylsulfanyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[6-[(4-nitrophenyl)methylthio]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[6-[(4-nitrophenyl)methylsulfanyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-keto-6-[(4-nitrobenzyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C18H14N6O5S2 MolecularWeight: 458.47096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O5S2/c19-31(28,29)14-7-5-12(6-8-14)23-16-15(9-20-23)17(25)22-18(21-16)30-10-11-1-3-13(4-2-11)24(26)27/h1-9,20H,10H2,(H2,19,28,29)