1-(4-nitrophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-nitrophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(4-nitrophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-nitrophenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C19H13N5O3S MolecularWeight: 391.40322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O3S/c25-17(13-6-8-15(9-7-13)24(26)27)11-28-19-16-10-22-23(18(16)20-12-21-19)14-4-2-1-3-5-14/h1-10,12H,11H2