| SpectraBase Spectrum ID |
5Ei2iUtDRrd |
| Name |
N-(4-Bromo-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-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 |
516.002237708 u |
| Formula |
C22H18BrClN4O2S |
| InChI |
InChI=1S/C22H18BrClN4O2S/c1-14-11-15(23)8-9-19(14)25-20(29)13-31-22-27-26-21(17-6-2-3-7-18(17)24)28(22)12-16-5-4-10-30-16/h2-11H,12-13H2,1H3,(H,25,29) |
| InChIKey |
AMXXQAFXFZNAOP-UHFFFAOYSA-N |
| Molecular Weight |
517.829 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)CC=1OC=CC1)=O)C1=C(C=C(C=C1)Br)C |
![N-(4-bromo-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/5Ei2iUtDRrd/structure.png?h=300&w=458 "N-(4-bromo-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
