SpectraBase Spectrum ID |
BjTPVKBbfjP |
Name |
2-{[5-(3-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
494.041210040 u |
Formula |
C23H19BrN4O2S |
InChI |
InChI=1S/C23H19BrN4O2S/c1-30-20-12-10-18(11-13-20)25-21(29)15-31-23-27-26-22(16-6-5-7-17(24)14-16)28(23)19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,25,29) |
InChIKey |
NICQUXMGYLJHGP-UHFFFAOYSA-N |
Molecular Weight |
495.395 g/mol |
SMILES |
N(C(CSC=1N(C(=NN1)C1=CC(Br)=CC=C1)C=1C=CC=CC1)=O)C=1C=CC(OC)=CC1 |