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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

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2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
SpectraBase Compound ID 3TiBCRoizP7
InChI InChI=1S/C20H22N4O2S/c1-4-24-19(15-7-11-17(26-3)12-8-15)22-23-20(24)27-13-18(25)21-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKey OMASUVJBQCHDDT-UHFFFAOYSA-N
Mol Weight 382.48 g/mol
Molecular Formula C20H22N4O2S
Exact Mass 382.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nneoBtrXLO
Name 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.146347136 u
Formula C20H22N4O2S
InChI InChI=1S/C20H22N4O2S/c1-4-24-19(15-7-11-17(26-3)12-8-15)22-23-20(24)27-13-18(25)21-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKey OMASUVJBQCHDDT-UHFFFAOYSA-N
Molecular Weight 382.482 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)CC)=O)C=1C=CC(=CC1)C