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2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SpectraBase Compound ID HyzmHh9r8QZ
InChI InChI=1S/C20H19N5O3S/c1-2-8-25-19(15-4-3-7-21-11-15)23-24-20(25)29-12-18(26)22-10-14-5-6-16-17(9-14)28-13-27-16/h2-7,9,11H,1,8,10,12-13H2,(H,22,26)
InChIKey LTESLUMCLKWZAI-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 8yc0k0gq977
Name 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
Alternate Name(s) 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-acetamide N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
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Formula C20H19N5O3S
InChI InChI=1S/C20H19N5O3S/c1-2-8-25-19(15-4-3-7-21-11-15)23-24-20(25)29-12-18(26)22-10-14-5-6-16-17(9-14)28-13-27-16/h2-7,9,11H,1,8,10,12-13H2,(H,22,26)
InChIKey LTESLUMCLKWZAI-UHFFFAOYSA-N
Molecular Weight 409.464 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cnccc1)CC=C)=O)Cc1cc2OCOc2cc1
SPLASH splash10-000g-8910000000-34daf6e83ddd352386d9
Wiley ID 1512365