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2-[4-Allyl-5-(3,4,5-trimethoxyphenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-[4-(1-hydroxyiminoethyl)phenyl]acetamide
SpectraBase Compound ID AGo7yr2uboC
InChI InChI=1S/C24H27N5O5S/c1-6-11-29-23(17-12-19(32-3)22(34-5)20(13-17)33-4)26-27-24(29)35-14-21(30)25-18-9-7-16(8-10-18)15(2)28-31/h6-10,12-13,31H,1,11,14H2,2-5H3,(H,25,30)/b28-15+
InChIKey DXEJJSQRUJPHNQ-RWPZCVJISA-N
Mol Weight 497.57 g/mol
Molecular Formula C24H27N5O5S
Exact Mass 497.17329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KWD1duksFB
Name 2-[4-Allyl-5-(3,4,5-trimethoxyphenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-[4-(1-hydroxyiminoethyl)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27N5O5S
InChI InChI=1S/C24H27N5O5S/c1-6-11-29-23(17-12-19(32-3)22(34-5)20(13-17)33-4)26-27-24(29)35-14-21(30)25-18-9-7-16(8-10-18)15(2)28-31/h6-10,12-13,31H,1,11,14H2,2-5H3,(H,25,30)/b28-15+
InChIKey DXEJJSQRUJPHNQ-RWPZCVJISA-N
Molecular Weight 497.570 g/mol
SMILES N(C(CSc1nnc([n]1CC=C)-c1cc(c(c(c1)OC)OC)OC)=O)c1ccc(\C(=N\O)C)cc1
SPLASH splash10-0pea-4971000000-a3adb79b648cf6ace73d
Source of Spectrum EMC-71-194-7d
Synonyms (E)-2-((4-allyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(1-(hydroxyimino)ethyl)phenyl)acetamide N-[4-[(1E)-1-hydroxyiminoethyl]phenyl]-2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide 2-[[4-allyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]phenyl]acetamide N-[4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]-2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
Wiley ID 1738929