6-(phenylcarbonyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 6-(phenylcarbonyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-benzoyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-benzoyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-benzoyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-benzoyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C25H17N3O2S MolecularWeight: 423.48638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C25H17N3O2S/c29-23(18-7-3-1-4-8-18)22-15-26-24-21(16-27-28(24)25(22)30)17-11-13-20(14-12-17)31-19-9-5-2-6-10-19/h1-16,27H