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

Systemtic Name: 6-(3-bromanyl-4-methoxy-phenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-(3-bromo-4-methoxy-phenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-(3-bromo-4-methoxyphenyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-(3-bromo-4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-(3-bromo-4-methoxy-phenyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C25H18BrN3O2S MolecularWeight: 504.39832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5)Br

InChI

InChI=1S/C25H18BrN3O2S/c1-31-23-12-9-17(13-22(23)26)21-14-27-24-20(15-28-29(24)25(21)30)16-7-10-19(11-8-16)32-18-5-3-2-4-6-18/h2-15,28H,1H3