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

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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID 2Q7s0rzK9fY
InChI InChI=1S/C25H23ClN4O3S/c1-16-4-6-17(7-5-16)24-28-29-25(30(24)20-10-8-18(26)9-11-20)34-15-23(31)27-19-12-21(32-2)14-22(13-19)33-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey MURXHFLRKQJTNW-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 CBJFUbxQdww
Name 2-{[4-(4-Chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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/c1-16-4-6-17(7-5-16)24-28-29-25(30(24)20-10-8-18(26)9-11-20)34-15-23(31)27-19-12-21(32-2)14-22(13-19)33-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey MURXHFLRKQJTNW-UHFFFAOYSA-N
Molecular Weight 494.997 g/mol
SMILES N(C1=CC(OC)=CC(=C1)OC)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)Cl)=O