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4-[[2-[[4-[(E)-(4-bromobenzylidene)amino]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-[[2-[[4-[(E)-(4-bromobenzylidene)amino]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester
SpectraBase Compound ID 8cHmpfoeKSo
InChI InChI=1S/C20H15BrF3N5O3S/c1-32-17(31)13-4-8-15(9-5-13)26-16(30)11-33-19-28-27-18(20(22,23)24)29(19)25-10-12-2-6-14(21)7-3-12/h2-10H,11H2,1H3,(H,26,30)/b25-10+
InChIKey HYSNCUVCMFNEGG-KIBLKLHPSA-N
Mol Weight 542.33 g/mol
Molecular Formula C20H15BrF3N5O3S
Exact Mass 541.003108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNfRJN5CpUv
Name 4-[[2-[[4-[(E)-(4-bromobenzylidene)amino]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15BrF3N5O3S
InChI InChI=1S/C20H15BrF3N5O3S/c1-32-17(31)13-4-8-15(9-5-13)26-16(30)11-33-19-28-27-18(20(22,23)24)29(19)25-10-12-2-6-14(21)7-3-12/h2-10H,11H2,1H3,(H,26,30)/b25-10+
InChIKey HYSNCUVCMFNEGG-KIBLKLHPSA-N
Molecular Weight 542.331 g/mol
SMILES N(C(CSc1[n](c(nn1)C(F)(F)F)\N=C\c1ccc(cc1)Br)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-001i-2900000000-89b5da8bd4297905c621
Source of Spectrum AD-0-2532-0
Synonyms 4-[[2-[[4-[(E)-(4-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester Methyl 4-[({[4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate Methyl 4-[2-[[4-[(E)-(4-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Methyl 4-[[2-[[4-[(E)-(4-bromophenyl)methyleneamino]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Methyl 4-[[2-[[4-[(E)-(4-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Wiley ID 1436319