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

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2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID JUMCiTzhD8O
InChI InChI=1S/C25H23ClN4O3S/c1-16-4-13-22(33-3)21(14-16)27-23(31)15-34-25-29-28-24(17-5-7-18(26)8-6-17)30(25)19-9-11-20(32-2)12-10-19/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey QIDFGQHKIRKXCB-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C25H23ClN4O3S
Exact Mass 494.117939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMtJuft6NnE
Name 2-{[5-(4-Chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.117939488 u
Formula C25H23ClN4O3S
InChI InChI=1S/C25H23ClN4O3S/c1-16-4-13-22(33-3)21(14-16)27-23(31)15-34-25-29-28-24(17-5-7-18(26)8-6-17)30(25)19-9-11-20(32-2)12-10-19/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey QIDFGQHKIRKXCB-UHFFFAOYSA-N
Molecular Weight 494.997 g/mol
SMILES N(C1=C(C=CC(=C1)C)OC)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)OC)=O