6-(diphenylmethyl)sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(diphenylmethyl)sulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzhydrylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(diphenylmethyl)thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzhydrylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzhydrylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H17N5O3S MolecularWeight: 455.48848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O3S/c30-23-20-15-25-28(18-11-13-19(14-12-18)29(31)32)22(20)26-24(27-23)33-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,21,25H