![3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](/api/spectrum/JCJIDkHD8CD/structure.png?h=300&w=458 "3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole")
| SpectraBase Compound ID | IjneycXxFZB |
|---|---|
| InChI | InChI=1S/C19H15N7S/c1-12-8-10-15(11-9-12)25-13(2)16(20-24-25)17-21-22-19-26(17)23-18(27-19)14-6-4-3-5-7-14/h3-11H,1-2H3 |
| InChIKey | YWEJUDBNKAYXQI-UHFFFAOYSA-N |
| Mol Weight | 373.44 g/mol |
| Molecular Formula | C19H15N7S |
| Exact Mass | 373.110965 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JCJIDkHD8CD |
|---|---|
| Name | 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-phenyl-1,3,4-triazolo[3,4-b]-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H15N7S |
| InChI | InChI=1S/C19H15N7S/c1-12-8-10-15(11-9-12)25-13(2)16(20-24-25)17-21-22-19-26(17)23-18(27-19)14-6-4-3-5-7-14/h3-11H,1-2H3 |
| InChIKey | YWEJUDBNKAYXQI-UHFFFAOYSA-N |
| Molecular Weight | 373.438 g/mol |
| SMILES | c1([n]2c(nn1)SC(=N2)c1ccccc1)-c1nn[n](c1C)-c1ccc(cc1)C |
| SPLASH | splash10-01bc-9622000000-f6d1ae0176ae5364e846 |
| Source of Spectrum | QA-48-345-6 |
| Synonyms | 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-phenyl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole 3-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Wiley ID | 863464 |