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Imidazole-5-carboxylic acid, 2-[2-(3-trifluoromethylphenylamino)-2-oxoethylthio]-1-methyl-, methyl ester
SpectraBase Compound ID 2VXEibb7lvz
InChI InChI=1S/C15H14F3N3O3S/c1-21-11(13(23)24-2)7-19-14(21)25-8-12(22)20-10-5-3-4-9(6-10)15(16,17)18/h3-7H,8H2,1-2H3,(H,20,22)
InChIKey BDOBAGARSOOGCZ-UHFFFAOYSA-N
Mol Weight 373.35 g/mol
Molecular Formula C15H14F3N3O3S
Exact Mass 373.070797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EKytRkJpRM
Name Imidazole-5-carboxylic acid, 2-[2-(3-trifluoromethylphenylamino)-2-oxoethylthio]-1-methyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F3N3O3S
InChI InChI=1S/C15H14F3N3O3S/c1-21-11(13(23)24-2)7-19-14(21)25-8-12(22)20-10-5-3-4-9(6-10)15(16,17)18/h3-7H,8H2,1-2H3,(H,20,22)
InChIKey BDOBAGARSOOGCZ-UHFFFAOYSA-N
Molecular Weight 373.350 g/mol
SMILES N(C(CSc1[n](c(cn1)C(=O)OC)C)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-0f7c-5900000000-f6ee1424daecd632aa17
Source of Spectrum AD-0-2532-0
Synonyms 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-3-methyl-imidazole-4-carboxylic acid methyl ester 3-Methyl-2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-4-imidazolecarboxylic acid methyl ester Methyl 1-methyl-2-((2-oxo-2-[3-(trifluoromethyl)anilino]ethyl)sulfanyl)-1H-imidazole-5-carboxylate Methyl 3-methyl-2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-imidazole-4-carboxylate Methyl 3-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-imidazole-4-carboxylate
Wiley ID 1429111