![1-Phenyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-6,7-dicarbonitrile](/api/spectrum/4ZS3GAy3fFZ/structure.png?h=300&w=458 "1-Phenyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-6,7-dicarbonitrile")
| SpectraBase Compound ID | CLxF574zFZZ |
|---|---|
| InChI | InChI=1S/C16H7N5S/c17-8-11-6-13-14(7-12(11)9-18)22-16-20-19-15(21(13)16)10-4-2-1-3-5-10/h1-7H |
| InChIKey | TVGNHBIHZWWBHD-UHFFFAOYSA-N |
| Mol Weight | 301.33 g/mol |
| Molecular Formula | C16H7N5S |
| Exact Mass | 301.042216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ZS3GAy3fFZ |
|---|---|
| Name | 1-Phenyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-6,7-dicarbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H7N5S |
| InChI | InChI=1S/C16H7N5S/c17-8-11-6-13-14(7-12(11)9-18)22-16-20-19-15(21(13)16)10-4-2-1-3-5-10/h1-7H |
| InChIKey | TVGNHBIHZWWBHD-UHFFFAOYSA-N |
| Molecular Weight | 301.327 g/mol |
| SMILES | c1ccc(-c2[n]-3c(nn2)Sc2c3cc(C#N)c(c2)C#N)cc1 |
| SPLASH | splash10-0udi-2209000000-0b3499349e5ddc8252ef |
| Wiley ID | 1511909 |