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

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2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
SpectraBase Compound ID 7kteqCczXfk
InChI InChI=1S/C25H23ClN4O2S/c1-16-7-8-17(2)22(13-16)27-23(31)15-33-25-29-28-24(18-5-4-6-21(14-18)32-3)30(25)20-11-9-19(26)10-12-20/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey TYNUMEFIWAHUNO-UHFFFAOYSA-N
Mol Weight 479.0 g/mol
Molecular Formula C25H23ClN4O2S
Exact Mass 478.123025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LepqppQRXqR
Name 2-{[4-(4-Chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.123024869 u
Formula C25H23ClN4O2S
InChI InChI=1S/C25H23ClN4O2S/c1-16-7-8-17(2)22(13-16)27-23(31)15-33-25-29-28-24(18-5-4-6-21(14-18)32-3)30(25)20-11-9-19(26)10-12-20/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey TYNUMEFIWAHUNO-UHFFFAOYSA-N
Molecular Weight 478.998 g/mol
SMILES N(C1=C(C=CC(=C1)C)C)C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)C1=CC=C(C=C1)Cl)=O