| SpectraBase Spectrum ID |
38TfegnNKCT |
| Name |
4'-{[5-(2-Butyl-3-(2-methylphenyl))-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 |
C26H27N7OS |
| InChI |
InChI=1S/C26H27N7OS/c1-3-4-13-25-29-33(24-12-8-5-9-19(24)2)35(34)32(25)18-20-14-16-21(17-15-20)22-10-6-7-11-23(22)26-27-30-31-28-26/h5-12,14-17H,3-4,13,18H2,1-2H3,(H,27,28,30,31) |
| InChIKey |
AQBHHNCUQBQVKH-UHFFFAOYSA-N |
| Molecular Weight |
485.610 g/mol |
| SMILES |
[nH]1c(nnn1)-c1c(-c2ccc(CN3S(N(N=C3CCCC)c3c(C)cccc3)=O)cc2)cccc1 |
| SPLASH |
splash10-000i-0090100000-e32d8adde14454b39d37 |
| Source of Spectrum |
QA-43-91-64 |
| Wiley ID |
862131 |
![4'-{[5-(2-Butyl-3-(2-methylphenyl))-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole](/api/spectrum/38TfegnNKCT/structure.png?h=300&w=458 "4'-{[5-(2-Butyl-3-(2-methylphenyl))-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole")
