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acetamide, 2-[[5-[4-(decyloxy)phenyl]-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)-
SpectraBase Compound ID C6OdjLgyoIu
InChI InChI=1S/C31H42N4O3S/c1-3-5-6-7-8-9-10-14-23-37-28-19-17-26(18-20-28)30-33-34-31(35(30)22-4-2)39-25-29(36)32-21-24-38-27-15-12-11-13-16-27/h4,11-13,15-20H,2-3,5-10,14,21-25H2,1H3,(H,32,36)
InChIKey PLFCTSFRXWNNAT-UHFFFAOYSA-N
Mol Weight 550.8 g/mol
Molecular Formula C31H42N4O3S
Exact Mass 550.297762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1tB6j9vkwo
Name 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
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Formula C31H42N4O3S
InChI InChI=1S/C31H42N4O3S/c1-3-5-6-7-8-9-10-14-23-37-28-19-17-26(18-20-28)30-33-34-31(35(30)22-4-2)39-25-29(36)32-21-24-38-27-15-12-11-13-16-27/h4,11-13,15-20H,2-3,5-10,14,21-25H2,1H3,(H,32,36)
InChIKey PLFCTSFRXWNNAT-UHFFFAOYSA-N
Molecular Weight 550.762 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1ccc(cc1)OCCCCCCCCCC)CC=C)=O)CCOc1ccccc1
SPLASH splash10-0006-9412100000-62c16b81e7622e587ba4
Synonyms 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)acetamide 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenoxyethyl)ethanamide 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)acetamide
Wiley ID 1461067