4-[[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methoxy]benzoic acid

Systemtic Name: 4-[[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methoxy]benzoic acid Openeye Name: 4-[[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methoxy]benzoic acid CAS Name: 4-[[7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methoxy]benzoic acid IUPAC Name: 4-[[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methoxy]benzoic acid Traditional Name: 4-[[7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-5-yl]methoxy]benzoic acid Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC(=CC4=O)COC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC(=CC4=O)COC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H19N3O4S/c30-24-14-19(16-33-20-10-6-18(7-11-20)26(31)32)28-25-23(15-27-29(24)25)17-8-12-22(13-9-17)34-21-4-2-1-3-5-21/h1-15,27H,16H2,(H,31,32)