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N,N-dicyclohexyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SpectraBase Compound ID 8G9Vp0eZhiT
InChI InChI=1S/C23H32N4O2S/c1-29-20-14-12-17(13-15-20)22-24-23(26-25-22)30-16-21(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-15,18-19H,2-11,16H2,1H3,(H,24,25,26)
InChIKey XBZVVAAFUTUJBF-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C23H32N4O2S
Exact Mass 428.224597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75BQ3O459df
Name N,N-dicyclohexyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N4O2S
InChI InChI=1S/C23H32N4O2S/c1-29-20-14-12-17(13-15-20)22-24-23(26-25-22)30-16-21(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-15,18-19H,2-11,16H2,1H3,(H,24,25,26)
InChIKey XBZVVAAFUTUJBF-UHFFFAOYSA-N
Molecular Weight 428.595 g/mol
SMILES [nH]1nc(nc1SCC(N(C1CCCCC1)C1CCCCC1)=O)-c1ccc(cc1)OC
SPLASH splash10-0a4i-9410000000-bbc5998d497c5e78e73c
Synonyms N,N-dicyclohexyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide N,N-dicyclohexyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide N,N-dicyclohexyl-2-{[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
Wiley ID 1436715