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

Systemtic Name: 3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-[4-(phenylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-[4-(phenylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C19H12F3N3OS MolecularWeight: 387.37829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12F3N3OS/c20-19(21,22)16-10-17(26)25-18(24-16)15(11-23-25)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-11,23H