| SpectraBase Spectrum ID |
Fp67kkaZpwa |
| Name |
N-(2-Bromo-4,6-difluorophenyl)-2-{[4-methyl-5-(4-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 |
452.011801618 u |
| Formula |
C18H15BrF2N4OS |
| InChI |
InChI=1S/C18H15BrF2N4OS/c1-10-3-5-11(6-4-10)17-23-24-18(25(17)2)27-9-15(26)22-16-13(19)7-12(20)8-14(16)21/h3-8H,9H2,1-2H3,(H,22,26) |
| InChIKey |
NCDNTCOCELMOKD-UHFFFAOYSA-N |
| Molecular Weight |
453.306 g/mol |
| SMILES |
N(C1=C(C=C(C=C1F)F)Br)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C)=O |
![N-(2-bromo-4,6-difluorophenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/Fp67kkaZpwa/structure.png?h=300&w=458 "N-(2-bromo-4,6-difluorophenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
