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

Systemtic Name: 5-(phenoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(phenoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(phenoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(phenoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(phenoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C25H19N3O2S/c29-24-15-19(17-30-20-7-3-1-4-8-20)27-25-23(16-26-28(24)25)18-11-13-22(14-12-18)31-21-9-5-2-6-10-21/h1-16,26H,17H2