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N-(4-acetylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

N-(4-acetylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eOlFBdUZma
Name N-(4-Acetylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.125946044 u
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 C1=CN=CC(C=2N(C(=NN2)SCC(NC2=CC=C(C(=O)C)C=C2)=O)CC=C)=C1