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N-(3-chloro-2-methylphenyl)-2-{[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5cL2zHb2JXp
InChI InChI=1S/C22H24ClN5OS/c1-15-18(23)10-5-11-19(15)25-20(29)14-30-22-27-26-21(16-7-6-12-24-13-16)28(22)17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9,14H2,1H3,(H,25,29)
InChIKey LHSDACWXALDYHA-UHFFFAOYSA-N
Mol Weight 441.98 g/mol
Molecular Formula C22H24ClN5OS
Exact Mass 441.139009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oezhOCM5eX
Name N-(3-chloranyl-2-methyl-phenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
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Formula C22H24ClN5OS
InChI InChI=1S/C22H24ClN5OS/c1-15-18(23)10-5-11-19(15)25-20(29)14-30-22-27-26-21(16-7-6-12-24-13-16)28(22)17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9,14H2,1H3,(H,25,29)
InChIKey LHSDACWXALDYHA-UHFFFAOYSA-N
Molecular Weight 441.981 g/mol
SMILES N(c1c(c(Cl)ccc1)C)C(CSc1[n](c(nn1)-c1cnccc1)C1CCCCC1)=O
SPLASH splash10-052f-9700000000-0eff02fa61aa197465e5
Synonyms N-(3-chloro-2-methyl-phenyl)-2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-chloro-2-methyl-phenyl)-2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide N-(3-chloro-2-methylphenyl)-2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(3-chloro-2-methylphenyl)-2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1444765