For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID LKnugnxLDSe
InChI InChI=1S/C25H23ClN4O3S/c1-16-5-4-6-17(13-16)24-28-29-25(30(24)19-8-10-20(32-2)11-9-19)34-15-23(31)27-18-7-12-22(33-3)21(26)14-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey QKFRNHJZCDLMBG-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LGRK8luaIjN
Name N-(3-Chloro-4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/c1-16-5-4-6-17(13-16)24-28-29-25(30(24)19-8-10-20(32-2)11-9-19)34-15-23(31)27-18-7-12-22(33-3)21(26)14-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey QKFRNHJZCDLMBG-UHFFFAOYSA-N
Molecular Weight 494.997 g/mol
SMILES N(C(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C=1C=CC(=CC1)OC)=O)C1=CC(Cl)=C(C=C1)OC