| SpectraBase Compound ID | Nt8x2Wop2Q |
|---|---|
| InChI | InChI=1S/C20H17N7S/c1-12-8-10-15(11-9-12)26-14(3)17(21-25-26)18-22-23-20-27(18)24-19(28-20)16-7-5-4-6-13(16)2/h4-11H,1-3H3 |
| InChIKey | KWALQZLWGAWFGO-UHFFFAOYSA-N |
| Mol Weight | 387.47 g/mol |
| Molecular Formula | C20H17N7S |
| Exact Mass | 387.126615 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5VtTmL8T9Rl |
|---|---|
| Name | 3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-(m-methylphenyl)-1,3,4-triazolo[3,4-b]-(1,3,4)-thiadiazole |
| Alternate Name(s) | 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(o-methylphenyl)-1,3,4-triazolo[3,4-b]-1,3,4-thiadiazole 3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-(m-methylphenyl)-1,2,4-triazolo[3,4-b]-(1,3,4)-thiadiazole 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(o-methylphenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H17N7S |
| InChI | InChI=1S/C20H17N7S/c1-12-8-10-15(11-9-12)26-14(3)17(21-25-26)18-22-23-20-27(18)24-19(28-20)16-7-5-4-6-13(16)2/h4-11H,1-3H3 |
| InChIKey | KWALQZLWGAWFGO-UHFFFAOYSA-N |
| Molecular Weight | 387.465 g/mol |
| SMILES | c1([n]2c(nn1)SC(=N2)c1c(C)cccc1)-c1nn[n](c1C)-c1ccc(cc1)C |
| SPLASH | splash10-07vl-6934000000-519c7e76f72c5421402d |
| Source of Spectrum | SK-31-85-6 |
| Wiley ID | 881754 |