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Methyl 2-({2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzenecarboxylate
SpectraBase Compound ID DfB5yvSD774
InChI InChI=1S/C26H24N4O3S/c1-33-25(32)21-14-8-9-15-22(21)27-24(31)18-34-26-29-28-23(16-19-10-4-2-5-11-19)30(26)17-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,27,31)
InChIKey MJNZDUOWMCLCPD-UHFFFAOYSA-N
Mol Weight 472.56 g/mol
Molecular Formula C26H24N4O3S
Exact Mass 472.156912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll7ZltctGV1
Name Methyl 2-({2-[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N4O3S
InChI InChI=1S/C26H24N4O3S/c1-33-25(32)21-14-8-9-15-22(21)27-24(31)18-34-26-29-28-23(16-19-10-4-2-5-11-19)30(26)17-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,27,31)
InChIKey MJNZDUOWMCLCPD-UHFFFAOYSA-N
Molecular Weight 472.563 g/mol
SMILES N(c1c(C(=O)OC)cccc1)C(CSc1[n](c(nn1)Cc1ccccc1)Cc1ccccc1)=O
SPLASH splash10-0006-9410000000-e76411ea01736daa329d
Source of Spectrum IY-1-4480-8
Synonyms 2-[[2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester Methyl 2-[[2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Methyl 2-[2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate
Wiley ID 1652791