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2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SpectraBase Compound ID 80TvakeVFny
InChI InChI=1S/C22H25N5O3S/c1-4-12-27-21(17-6-5-10-23-14-17)25-26-22(27)31-15-20(28)24-11-9-16-7-8-18(29-2)19(13-16)30-3/h4-8,10,13-14H,1,9,11-12,15H2,2-3H3,(H,24,28)
InChIKey RQFDJVRZHYEVRX-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C22H25N5O3S
Exact Mass 439.167811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HmXJHciVHR
Name 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N5O3S
InChI InChI=1S/C22H25N5O3S/c1-4-12-27-21(17-6-5-10-23-14-17)25-26-22(27)31-15-20(28)24-11-9-16-7-8-18(29-2)19(13-16)30-3/h4-8,10,13-14H,1,9,11-12,15H2,2-3H3,(H,24,28)
InChIKey RQFDJVRZHYEVRX-UHFFFAOYSA-N
Molecular Weight 439.534 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cnccc1)CC=C)=O)CCc1cc(OC)c(cc1)OC
SPLASH splash10-03di-4900000000-0c08bbd3fe1f32b550f1
Synonyms 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-homoveratryl-acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1442635