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

Systemtic Name: 6-phenethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-phenethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-phenethyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-phenethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-phenethyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C26H21N3OS MolecularWeight: 423.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C3C(=CNN3C2=O)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C26H21N3OS/c30-26-21(12-11-19-7-3-1-4-8-19)17-27-25-24(18-28-29(25)26)20-13-15-23(16-14-20)31-22-9-5-2-6-10-22/h1-10,13-18,28H,11-12H2