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2-(4-Allyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
SpectraBase Compound ID 4gP9tRGOewT
InChI InChI=1S/C20H19N5O3S/c1-2-8-25-19(14-4-3-7-21-12-14)23-24-20(25)29-13-18(26)22-15-5-6-16-17(11-15)28-10-9-27-16/h2-7,11-12H,1,8-10,13H2,(H,22,26)
InChIKey HFMVAIULXYAJCT-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C20H19N5O3S
Exact Mass 409.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwGJGWcHcyw
Name 2-(4-Allyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
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Formula C20H19N5O3S
InChI InChI=1S/C20H19N5O3S/c1-2-8-25-19(14-4-3-7-21-12-14)23-24-20(25)29-13-18(26)22-15-5-6-16-17(11-15)28-10-9-27-16/h2-7,11-12H,1,8-10,13H2,(H,22,26)
InChIKey HFMVAIULXYAJCT-UHFFFAOYSA-N
Molecular Weight 409.464 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cnccc1)CC=C)=O)c1cc2OCCOc2cc1
SPLASH splash10-0pbl-9840000000-81a7b10abf94fe2b4707
Synonyms 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1442586