| SpectraBase Spectrum ID |
1a2nvvycOKN |
| Name |
4'-{[5-(2-Butyl-3-phenyl)-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25N7OS |
| InChI |
InChI=1S/C25H25N7OS/c1-2-3-13-24-28-32(21-9-5-4-6-10-21)34(33)31(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-26-29-30-27-25/h4-12,14-17H,2-3,13,18H2,1H3,(H,26,27,29,30) |
| InChIKey |
RAYTYZMDALXKQS-UHFFFAOYSA-N |
| Molecular Weight |
471.583 g/mol |
| SMILES |
[nH]1c(nnn1)-c1c(-c2ccc(CN3S(N(N=C3CCCC)c3ccccc3)=O)cc2)cccc1 |
| SPLASH |
splash10-000i-0090100000-492c24080481338c40e0 |
| Source of Spectrum |
QA-43-91-61 |
| Wiley ID |
862134 |
![4'-{[5-(2-Butyl-3-phenyl)-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole](/api/spectrum/1a2nvvycOKN/structure.png?h=300&w=458 "4'-{[5-(2-Butyl-3-phenyl)-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole")
