5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-2-phenyl-2-pyrazolin-3-one Formula: C16H9F5N2OS MolecularWeight: 372.312476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=C(C(=C(C(=C2F)F)F)F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1SC2=C(C(=C(C(=C2F)F)F)F)F)C3=CC=CC=C3

InChI

InChI=1S/C16H9F5N2OS/c1-7-14(16(24)23(22-7)8-5-3-2-4-6-8)25-15-12(20)10(18)9(17)11(19)13(15)21/h2-6,14H,1H3