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

Systemtic Name: 3-(4-phenylsulfanylphenyl)-5-(propan-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(isopropoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-[4-(phenylthio)phenyl]-5-(propan-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(4-phenylsulfanylphenyl)-5-(propan-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(isopropoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)OCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-15(2)27-14-17-12-21(26)25-22(24-17)20(13-23-25)16-8-10-19(11-9-16)28-18-6-4-3-5-7-18/h3-13,15,23H,14H2,1-2H3