| SpectraBase Spectrum ID |
DmXnx5SREeL |
| Name |
5-[(4-Bromobenzyl)thio]-1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.020080673 u |
| Formula |
C16H15BrN4S |
| InChI |
InChI=1S/C16H15BrN4S/c1-11-4-3-5-12(2)15(11)21-16(18-19-20-21)22-10-13-6-8-14(17)9-7-13/h3-9H,10H2,1-2H3 |
| InChIKey |
QKISJTQTJLLEOC-UHFFFAOYSA-N |
| Molecular Weight |
375.288 g/mol |
| SMILES |
CC1=CC=CC(C)=C1N1C(=NN=N1)SCC=1C=CC(=CC1)Br |
![5-[(4-Bromobenzyl)thio]-1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole](/api/spectrum/DmXnx5SREeL/structure.png?h=300&w=458 "5-[(4-Bromobenzyl)thio]-1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole")
