| SpectraBase Spectrum ID |
B1rCjsApsVU |
| Name |
4'-{[5-(2-Butyl-3-(4-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/c1-3-4-9-25-29-33(22-16-10-19(2)11-17-22)35(34)32(25)18-20-12-14-21(15-13-20)23-7-5-6-8-24(23)26-27-30-31-28-26/h5-8,10-17H,3-4,9,18H2,1-2H3,(H,27,28,30,31) |
| InChIKey |
AWUAPZOGLPHQHZ-UHFFFAOYSA-N |
| Molecular Weight |
485.610 g/mol |
| SMILES |
[nH]1c(nnn1)-c1c(-c2ccc(CN3S(N(N=C3CCCC)c3ccc(cc3)C)=O)cc2)cccc1 |
| SPLASH |
splash10-000i-0020900000-2109fefe70b1ce3bc359 |
| Source of Spectrum |
QA-43-91-66 |
| Wiley ID |
862129 |
![4'-{[5-(2-Butyl-3-(4-methylphenyl))-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole](/api/spectrum/B1rCjsApsVU/structure.png?h=300&w=458 "4'-{[5-(2-Butyl-3-(4-methylphenyl))-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole")
