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N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID BhYJEns9rF7
InChI InChI=1S/C20H22N4OS/c1-4-24-19(16-8-6-5-7-9-16)22-23-20(24)26-13-18(25)21-17-11-10-14(2)15(3)12-17/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKey VYXOIGLFEQULNK-UHFFFAOYSA-N
Mol Weight 366.48 g/mol
Molecular Formula C20H22N4OS
Exact Mass 366.151433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOdjfTicgR2
Name N-(3,4-Dimethylphenyl)-2-[(4-ethyl-5-phenyl-4H-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 366.151432517 u
Formula C20H22N4OS
InChI InChI=1S/C20H22N4OS/c1-4-24-19(16-8-6-5-7-9-16)22-23-20(24)26-13-18(25)21-17-11-10-14(2)15(3)12-17/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKey VYXOIGLFEQULNK-UHFFFAOYSA-N
Molecular Weight 366.483 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=CC=C1)CC)=O)C1=CC(C)=C(C=C1)C