| SpectraBase Compound ID | Fz1VttYIjyG |
|---|---|
| InChI | InChI=1S/C21H16BrN5S/c22-18-11-13-19(14-12-18)27-25-24-21-23-20(17-9-5-2-6-10-17)26(28(21)27)15-16-7-3-1-4-8-16/h1-14H,15H2 |
| InChIKey | QCBSHPZJOPAVNE-UHFFFAOYSA-N |
| Mol Weight | 450.36 g/mol |
| Molecular Formula | C21H16BrN5S |
| Exact Mass | 449.03098 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2r67ejRt9jc |
|---|---|
| Name | 6-Benzyl-1-(4'-bromophenyl)-5-phenyl-6a-.lambda.4.-thia-1,2,3,4,6-pentaazapentalene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16BrN5S |
| InChI | InChI=1S/C21H16BrN5S/c22-18-11-13-19(14-12-18)27-25-24-21-23-20(17-9-5-2-6-10-17)26(28(21)27)15-16-7-3-1-4-8-16/h1-14H,15H2 |
| InChIKey | QCBSHPZJOPAVNE-UHFFFAOYSA-N |
| Molecular Weight | 450.358 g/mol |
| SMILES | c12s([n](c(n2)-c2ccccc2)Cc2ccccc2)[n](nn1)-c1ccc(cc1)Br |
| SPLASH | splash10-0006-9700000000-f7b60fa4fda2a77e62a5 |
| Source of Spectrum | Y-30-351-3 |
| Synonyms | 2-(4-bromophenyl)-7-phenyl-8-(phenylmethyl)-1-thia-2,3,4,6,8-pentazabicyclo[3.3.0]octa-1(5),3,6-triene 5-Benzyl-3-(4-bromophenyl)-6-phenyl-3,5-dihydro-4.lambda.4-[1,2,4]thiadiazolo[5,1-e][1,2,3,4]thiatriazole 8-Benzyl-2-(4-bromophenyl)-7-phenyl-1-thia-2,3,4,6,8-pentazabicyclo[3.3.0]octa-1(5),3,6-triene 2-(4-bromophenyl)-7-phenyl-8-(phenylmethyl)-1$l^{4}-thia-2,3,4,6,8-pentazabicyclo[3.3.0]octa-1(5),3,6-triene |
| Wiley ID | 1387406 |