| SpectraBase Spectrum ID |
Dua7B09I3tt |
| Name |
(E)-2-{{1-[(Phenylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.094903731 u |
| Formula |
C24H20F3N3O2S2 |
| InChI |
InChI=1S/C24H20F3N3O2S2/c25-24(26,27)17-7-6-8-18(15-17)28-14-13-19(16-34(31,32)20-9-2-1-3-10-20)33-23-29-21-11-4-5-12-22(21)30-23/h1-13,15,28H,14,16H2,(H,29,30)/b19-13+ |
| InChIKey |
CQBRHPUZRHSVNK-CPNJWEJPSA-N |
| Molecular Weight |
503.558 g/mol |
| SMILES |
N(C1=CC=CC(=C1)C(F)(F)F)C\C=C/(SC1=NC2=C(C=CC=C2)N1)CS(=O)(=O)C=1C=CC=CC1 |
![(E)-2-{{1-[(phenylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole](/api/spectrum/Dua7B09I3tt/structure.png?h=300&w=458 "(E)-2-{{1-[(phenylsulfonyl)methyl]-3-(alpha,alpha,alpha-trifluoro-m-toluidino)propenyl}thio}benzimidazole")
