1,5-dimethyl-2-phenyl-4-(trifluoromethylsulfanyl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(trifluoromethylsulfanyl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(trifluoromethylsulfanyl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(trifluoromethylthio)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(trifluoromethylsulfanyl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(trifluoromethylthio)-3-pyrazolin-3-one Formula: C12H11F3N2OS MolecularWeight: 288.28875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(F)(F)F

InChI

InChI=1S/C12H11F3N2OS/c1-8-10(19-12(13,14)15)11(18)17(16(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3