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4-[[2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid butyl ester
SpectraBase Compound ID 1EW2iTdkwDI
InChI InChI=1S/C25H24N4O4S/c1-2-3-15-33-24(31)18-11-13-19(14-12-18)26-22(30)17-34-25-28-27-23(21-10-7-16-32-21)29(25)20-8-5-4-6-9-20/h4-14,16H,2-3,15,17H2,1H3,(H,26,30)
InChIKey FSXFUZJQVMDJJE-UHFFFAOYSA-N
Mol Weight 476.55 g/mol
Molecular Formula C25H24N4O4S
Exact Mass 476.151826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ahd3Ekkzd8
Name 4-[[2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid butyl ester
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Formula C25H24N4O4S
InChI InChI=1S/C25H24N4O4S/c1-2-3-15-33-24(31)18-11-13-19(14-12-18)26-22(30)17-34-25-28-27-23(21-10-7-16-32-21)29(25)20-8-5-4-6-9-20/h4-14,16H,2-3,15,17H2,1H3,(H,26,30)
InChIKey FSXFUZJQVMDJJE-UHFFFAOYSA-N
Molecular Weight 476.551 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1occc1)-c1ccccc1)=O)c1ccc(C(=O)OCCCC)cc1
SPLASH splash10-059x-7890000000-830be49ce4e82d75c4ef
Synonyms 4-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid butyl ester Butyl 4-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Butyl 4-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Butyl 4-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Wiley ID 1460310