N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C25H17ClN6O3S MolecularWeight: 516.95888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C25H17ClN6O3S/c26-20-12-11-17(13-21(20)32(34)35)30-24(33)22(16-7-3-1-4-8-16)36-25-19-14-29-31(23(19)27-15-28-25)18-9-5-2-6-10-18/h1-15,22H,(H,30,33)