3-(4-phenylsulfanylphenyl)-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 3-(4-phenylsulfanylphenyl)-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-isopropyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-[4-(phenylthio)phenyl]-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(4-phenylsulfanylphenyl)-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-isopropyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS/c1-14(2)19-12-20(25)24-21(23-19)18(13-22-24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-14,22H,1-2H3