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

Systemtic Name: 6-(phenylmethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-benzyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-(phenylmethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-benzyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-benzyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C25H19N3OS MolecularWeight: 409.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C25H19N3OS/c29-25-20(15-18-7-3-1-4-8-18)16-26-24-23(17-27-28(24)25)19-11-13-22(14-12-19)30-21-9-5-2-6-10-21/h1-14,16-17,27H,15H2