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

Systemtic Name: 2-chloranyl-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]benzohydrazide Openeye Name: 2-chloro-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide CAS Name: 2-chloro-N'-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]benzohydrazide IUPAC Name: 2-chloro-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide Traditional Name: 2-chloro-N'-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]benzohydrazide Formula: C20H15ClN6O2S MolecularWeight: 438.8901

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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=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NNC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H15ClN6O2S/c21-16-9-5-4-8-14(16)19(29)26-25-17(28)11-30-20-15-10-24-27(18(15)22-12-23-20)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,25,28)(H,26,29)