| SpectraBase Spectrum ID |
EpbSIJ1X5om |
| Name |
2-({5-[(4-Tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,4-difluorophenyl)ethanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.163554555 u |
| Formula |
C27H25F2N3O2S |
| InChI |
InChI=1S/C27H25F2N3O2S/c1-27(2,3)18-9-12-21(13-10-18)34-16-25-30-31-26(32(25)20-7-5-4-6-8-20)35-17-24(33)22-14-11-19(28)15-23(22)29/h4-15H,16-17H2,1-3H3 |
| InChIKey |
SRVRXAHMJNXUJJ-UHFFFAOYSA-N |
| Molecular Weight |
493.573 g/mol |
| SMILES |
C=1C=CC(N2C(=NN=C2COC2=CC=C(C(C)(C)C)C=C2)SCC(C=2C(=CC(=CC2)F)F)=O)=CC1 |
![2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,4-difluorophenyl)ethanone](/api/spectrum/EpbSIJ1X5om/structure.png?h=300&w=458 "2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2,4-difluorophenyl)ethanone")
