| SpectraBase Spectrum ID |
2VUIyLRyLDb |
| Name |
N-{2-[(4-Tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.133023002 u |
| Formula |
C27H26N6OS3 |
| InChI |
InChI=1S/C27H26N6OS3/c1-27(2,3)19-11-9-18(10-12-19)16-36-26-29-22-14-13-20(15-23(22)37-26)28-24(34)17-35-25-30-31-32-33(25)21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3,(H,28,34) |
| InChIKey |
IZNJHRVPGLHXBE-UHFFFAOYSA-N |
| Molecular Weight |
546.726 g/mol |
| SMILES |
N(C(CSC=1N(N=NN1)C1=CC=CC=C1)=O)C1=CC=2SC(SCC=3C=CC(C(C)(C)C)=CC3)=NC2C=C1 |
![N-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide](/api/spectrum/2VUIyLRyLDb/structure.png?h=300&w=458 "N-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide")
