4-[(4-methylsulfanylphenyl)methyl]-2-(phenylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 4-[(4-methylsulfanylphenyl)methyl]-2-(phenylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-benzyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-[[4-(methylthio)phenyl]methyl]-2-(phenylmethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-benzyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-benzyl-4-[4-(methylthio)benzyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C19H17F3N2OS MolecularWeight: 378.41129

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=C(NN(C2=O)CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=C(NN(C2=O)CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H17F3N2OS/c1-26-15-9-7-13(8-10-15)11-16-17(19(20,21)22)23-24(18(16)25)12-14-5-3-2-4-6-14/h2-10,23H,11-12H2,1H3