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2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
SpectraBase Compound ID Afz42mFRxzg
InChI InChI=1S/C24H27N5OS/c1-3-4-5-6-7-9-12-19-15-20(17-25-16-19)23-27-28-24(29(23)2)31-18-22(30)26-21-13-10-8-11-14-21/h8,10-11,13-17H,3-7,18H2,1-2H3,(H,26,30)
InChIKey OCPPQJYDGOPHSR-UHFFFAOYSA-N
Mol Weight 433.57 g/mol
Molecular Formula C24H27N5OS
Exact Mass 433.193632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XQBhI1oll0
Name 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
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Formula C24H27N5OS
InChI InChI=1S/C24H27N5OS/c1-3-4-5-6-7-9-12-19-15-20(17-25-16-19)23-27-28-24(29(23)2)31-18-22(30)26-21-13-10-8-11-14-21/h8,10-11,13-17H,3-7,18H2,1-2H3,(H,26,30)
InChIKey OCPPQJYDGOPHSR-UHFFFAOYSA-N
Molecular Weight 433.574 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cc(C#CCCCCCC)cnc1)C)=O)c1ccccc1
SPLASH splash10-03dl-4339000000-9bb3ecfffa3eb1b03e01
Synonyms 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide 2-[[4-methyl-5-(5-oct-1-ynyl-3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide 2-[[4-methyl-5-(5-oct-1-ynylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide 2-[[4-methyl-5-(5-oct-1-ynylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Wiley ID 1447074