SpectraBase Spectrum ID |
2dvTLjvAeuE |
Name |
2-[3-(4-Bromophenyl)-4-(2-methoxyphenylthiazol-2-ylidene)cyanomethyl]benzimidazole-5-carboxylic acid |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H17BrN4O3S |
InChI |
InChI=1S/C26H17BrN4O3S/c1-34-23-5-3-2-4-18(23)22-14-35-25(31(22)17-9-7-16(27)8-10-17)19(13-28)24-29-20-11-6-15(26(32)33)12-21(20)30-24/h2-12,14H,1H3,(H,29,30)(H,32,33)/b25-19- |
InChIKey |
DNZARYLBSJNNSK-PLRJNAJWSA-N |
Molecular Weight |
545.411 g/mol |
SMILES |
OC(c1cc2nc(\C(=C\3N(C(c4c(OC)cccc4)=CS3)c3ccc(cc3)Br)C#N)[nH]c2cc1)=O |
SPLASH |
splash10-0002-0000090000-db32a2f232adc625961d |
Source of Spectrum |
F2-45-2954-7c |
Wiley ID |
1689333 |