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

Systemtic Name: 5-[(3-methylphenoxy)methyl]-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-[(3-methylphenoxy)methyl]-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(3-methylphenoxy)methyl]-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-[(3-methylphenoxy)methyl]-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(3-methylphenoxy)methyl]-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=CC(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c1-18-6-5-7-21(14-18)31-17-20-15-25(30)29-26(28-20)24(16-27-29)19-10-12-23(13-11-19)32-22-8-3-2-4-9-22/h2-16,27H,17H2,1H3