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N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Zdl6PecRFe
InChI InChI=1S/C22H27N5O3S/c1-4-29-18-9-8-16(13-19(18)30-5-2)10-12-24-20(28)15-31-22-26-25-21(27(22)3)17-7-6-11-23-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H,24,28)
InChIKey GBCKBKFETPHENT-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C22H27N5O3S
Exact Mass 441.183461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Mym2ahw0j8
Name N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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Formula C22H27N5O3S
InChI InChI=1S/C22H27N5O3S/c1-4-29-18-9-8-16(13-19(18)30-5-2)10-12-24-20(28)15-31-22-26-25-21(27(22)3)17-7-6-11-23-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H,24,28)
InChIKey GBCKBKFETPHENT-UHFFFAOYSA-N
Molecular Weight 441.550 g/mol
SMILES N(C(CSc1[n](C)c(nn1)-c1cnccc1)=O)CCc1ccc(c(c1)OCC)OCC
SPLASH splash10-0006-2910000000-ee33985028da90e0d1fe
Source of Spectrum IY-2-4976-3
Synonyms N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
Wiley ID 1657746