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N-(2-chloranyl-5-methyl-phenyl)-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
SpectraBase Compound ID w4HLB2aA2J
InChI InChI=1S/C23H23Cl3N4OS/c1-14-7-10-18(25)20(11-14)27-21(31)13-32-23-29-28-22(17-9-8-15(24)12-19(17)26)30(23)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,27,31)
InChIKey SRDHDUDKZMDGGN-UHFFFAOYSA-N
Mol Weight 509.88 g/mol
Molecular Formula C23H23Cl3N4OS
Exact Mass 508.065816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 328cVKDDkm
Name N-(2-chloranyl-5-methyl-phenyl)-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23Cl3N4OS
InChI InChI=1S/C23H23Cl3N4OS/c1-14-7-10-18(25)20(11-14)27-21(31)13-32-23-29-28-22(17-9-8-15(24)12-19(17)26)30(23)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,27,31)
InChIKey SRDHDUDKZMDGGN-UHFFFAOYSA-N
Molecular Weight 509.883 g/mol
SMILES N(C(=O)CSc1nnc([n]1C1CCCCC1)-c1ccc(cc1Cl)Cl)c1c(ccc(c1)C)Cl
SPLASH splash10-0a4l-9430000000-109c89039aa3643e7704
Synonyms N-(2-chloro-5-methyl-phenyl)-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(2-chloro-5-methyl-phenyl)-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetamide N-(2-chloro-5-methylphenyl)-2-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1444240