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

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2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
SpectraBase Compound ID HpfqpV8bFuS
InChI InChI=1S/C26H26N4O3S/c1-4-33-22-13-11-21(12-14-22)30-25(19-8-5-7-18(2)15-19)28-29-26(30)34-17-24(31)27-20-9-6-10-23(16-20)32-3/h5-16H,4,17H2,1-3H3,(H,27,31)
InChIKey BRHZPOSIIUPMNK-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C26H26N4O3S
Exact Mass 474.172562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPOT9z9S2qe
Name 2-{[4-(4-Ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.172561884 u
Formula C26H26N4O3S
InChI InChI=1S/C26H26N4O3S/c1-4-33-22-13-11-21(12-14-22)30-25(19-8-5-7-18(2)15-19)28-29-26(30)34-17-24(31)27-20-9-6-10-23(16-20)32-3/h5-16H,4,17H2,1-3H3,(H,27,31)
InChIKey BRHZPOSIIUPMNK-UHFFFAOYSA-N
Molecular Weight 474.579 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C=1C=CC(=CC1)OCC)=O)C=1C=C(OC)C=CC1