4-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-methylsulfinylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-methylsulfinylbenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C12H11F3N2O2S MolecularWeight: 304.28815

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C12H11F3N2O2S/c1-20(19)8-4-2-7(3-5-8)6-9-10(12(13,14)15)16-17-11(9)18/h2-5H,6H2,1H3,(H2,16,17,18)