2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-phenyl-4-(phenylthio)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-phenyl-4-(phenylthio)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C16H11F3N2OS MolecularWeight: 336.33155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(F)(F)F)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(F)(F)F)SC3=CC=CC=C3

InChI

InChI=1S/C16H11F3N2OS/c17-16(18,19)14-13(23-12-9-5-2-6-10-12)15(22)21(20-14)11-7-3-1-4-8-11/h1-10,20H