2-pyrimidin-2-yl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 2-pyrimidin-2-yl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-pyrazol-3-one Openeye Name: 2-pyrimidin-2-yl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-pyrazol-3-one CAS Name: 2-(2-pyrimidinyl)-4-[4-(trifluoromethylthio)phenyl]-4H-pyrazol-3-one IUPAC Name: 2-pyrimidin-2-yl-4-[4-(trifluoromethylsulfanyl)phenyl]-4H-pyrazol-3-one Traditional Name: 2-(2-pyrimidyl)-4-[4-(trifluoromethylthio)phenyl]-2-pyrazolin-3-one Formula: C14H9F3N4OS MolecularWeight: 338.30767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)N2C(=O)C(C=N2)C3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)N2C(=O)C(C=N2)C3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C14H9F3N4OS/c15-14(16,17)23-10-4-2-9(3-5-10)11-8-20-21(12(11)22)13-18-6-1-7-19-13/h1-8,11H