![(4E)-4-[1-(diethylaminocarbonyl)ethylidene]-1-methyl-4H-1,3,5-triazino[2,1-b]benzothiazol-1-ium-2-olate](/api/spectrum/3B7CcF5ePXh/structure.png?h=300&w=458 "(4E)-4-[1-(diethylaminocarbonyl)ethylidene]-1-methyl-4H-1,3,5-triazino[2,1-b]benzothiazol-1-ium-2-olate")
| SpectraBase Compound ID | 19uNk3GAjVi |
|---|---|
| InChI | InChI=1S/C17H20N4O2S/c1-5-20(6-2)15(22)11(3)14-18-16(23)19(4)17-21(14)12-9-7-8-10-13(12)24-17/h7-10H,5-6H2,1-4H3 |
| InChIKey | XFUWNVXEPJLXTM-UHFFFAOYSA-N |
| Mol Weight | 344.43 g/mol |
| Molecular Formula | C17H20N4O2S |
| Exact Mass | 344.130697 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3B7CcF5ePXh |
|---|---|
| Name | (4E)-4-[1-(diethylaminocarbonyl)ethylidene]-1-methyl-4H-1,3,5-triazino[2,1-b]benzothiazol-1-ium-2-olate |
| CAS Registry Number | 114581-57-6 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20N4O2S |
| InChI | InChI=1S/C17H20N4O2S/c1-5-20(6-2)15(22)11(3)14-18-16(23)19(4)17-21(14)12-9-7-8-10-13(12)24-17/h7-10H,5-6H2,1-4H3 |
| InChIKey | XFUWNVXEPJLXTM-UHFFFAOYSA-N |
| Molecular Weight | 344.433 g/mol |
| SMILES | C1=2N(\C(=C\(C(N(CC)CC)=O)C)N=C([N+]2C)[O-])c2ccccc2S1 |
| SPLASH | splash10-001i-7900000000-0577ddc088e17488992f |
| Source of Spectrum | K-121-1582-11 |
| Synonyms | (4E)-4-[1-(diethylamino)-1-oxidanylidene-propan-2-ylidene]-1-methyl-[1,3,5]triazino[2,1-b][1,3]benzothiazol-1-ium-2-olate (4E)-4-[1-(diethylamino)-1-oxopropan-2-ylidene]-1-methyl-[1,3,5]triazino[2,1-b][1,3]benzothiazol-1-ium-2-olate (4E)-4-[2-(diethylamino)-1-methyl-2-oxo-ethylidene]-1-methyl-[1,3,5]triazino[2,1-b][1,3]benzothiazol-1-ium-2-olate (4E)-4-[2-(diethylamino)-1-methyl-2-oxoethylidene]-1-methyl-4H-[1,3,5]triazino[2,3-b][1,3]benzothiazol-1-ium-2-olate (4E)-4-[2-(diethylamino)-2-keto-1-methyl-ethylidene]-1-methyl-[1,3,5]triazino[2,1-b][1,3]benzothiazol-1-ium-2-olate (E)-1-(diethylamino)-2-(1-methyl-2-oxo-[1,3,5]triazino[2,1-b][1,3]benzothiazol-1-ium-4-yl)-1-propen-1-olate (E)-1-(diethylamino)-2-(1-methyl-2-oxo-[1,3,5]triazino[2,1-b][1,3]benzothiazol-1-ium-4-yl)prop-1-en-1-olate (E)-1-(diethylamino)-2-(1-methyl-2-oxidanylidene-[1,3,5]triazino[2,1-b][1,3]benzothiazol-1-ium-4-yl)prop-1-en-1-olate |
| Wiley ID | 1337755 |