2-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[1-(4-nitrophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[1-(4-nitrophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-keto-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-acetamide Formula: C19H14N6O4S MolecularWeight: 422.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S/c26-16(21-12-4-2-1-3-5-12)11-30-19-22-17-15(18(27)23-19)10-20-24(17)13-6-8-14(9-7-13)25(28)29/h1-10,20H,11H2,(H,21,26)