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acetamide, N-(4-acetylphenyl)-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 6SNMgaN97d8
InChI InChI=1S/C20H19N5O2S/c1-3-11-25-19(16-5-4-10-21-12-16)23-24-20(25)28-13-18(27)22-17-8-6-15(7-9-17)14(2)26/h3-10,12H,1,11,13H2,2H3,(H,22,27)
InChIKey IXAGUYKDKGNAKE-UHFFFAOYSA-N
Mol Weight 393.47 g/mol
Molecular Formula C20H19N5O2S
Exact Mass 393.125946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQjfoC9OU6V
Name N-(4-acetylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N5O2S
InChI InChI=1S/C20H19N5O2S/c1-3-11-25-19(16-5-4-10-21-12-16)23-24-20(25)28-13-18(27)22-17-8-6-15(7-9-17)14(2)26/h3-10,12H,1,11,13H2,2H3,(H,22,27)
InChIKey IXAGUYKDKGNAKE-UHFFFAOYSA-N
Molecular Weight 393.465 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cnccc1)CC=C)=O)c1ccc(C(=O)C)cc1
SPLASH splash10-0a4r-2981000000-261eb0013d346b6dd9de
Synonyms N-(4-acetylphenyl)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-acetylphenyl)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide N-(4-acetylphenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide N-(4-ethanoylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
Wiley ID 1452892