SpectraBase Spectrum ID |
J4zdnCAD8wU |
Name |
4'-{[5-(2-Butyl-3-(3-methylphenyl))-2,1,3,4-1H-thiatriazol-2-on-1-yl]methyl}biphenyl-2-tetrazole |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H27N7OS |
InChI |
InChI=1S/C26H27N7OS/c1-3-4-12-25-29-33(22-9-7-8-19(2)17-22)35(34)32(25)18-20-13-15-21(16-14-20)23-10-5-6-11-24(23)26-27-30-31-28-26/h5-11,13-17H,3-4,12,18H2,1-2H3,(H,27,28,30,31) |
InChIKey |
GUCIKZGFVSCVEN-UHFFFAOYSA-N |
Molecular Weight |
485.610 g/mol |
SMILES |
[nH]1c(nnn1)-c1c(-c2ccc(CN3S(N(N=C3CCCC)c3cc(C)ccc3)=O)cc2)cccc1 |
SPLASH |
splash10-000i-0010900000-0d8460078d2616d295ed |
Source of Spectrum |
QA-43-91-65 |
Wiley ID |
862130 |