4-nitro-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]benzohydrazide

Systemtic Name: 4-nitro-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]benzohydrazide Openeye Name: 4-nitro-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide CAS Name: 4-nitro-N'-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]benzohydrazide IUPAC Name: 4-nitro-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide Traditional Name: 4-nitro-N'-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]benzohydrazide Formula: C20H15N7O4S MolecularWeight: 449.4426

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H15N7O4S/c28-17(24-25-19(29)13-6-8-15(9-7-13)27(30)31)11-32-20-16-10-23-26(18(16)21-12-22-20)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,24,28)(H,25,29)