1. Primary Information
| English name: | Pyridinium, 1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-, chloride (1:1) |
| CAS No.: | 147366-41-4 |
| Molecular formula: | C21H22ClN3OS2 |
| Molecular weight: | 432.0 g/mol |
| SMILES: | CCN1C(=CC2=CC=CC=[N+]2CC)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-] |
| Structural class: | |
| Other identifiers: |
1-ethyl-2-((3-ethyl-5-(3-methylbenzothiazolin-2-yliden))-4-oxothiazolidin-2-ylidenemethyl)pyridium chloride FJ-776 MKT 077 MKT-077 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 432 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 768 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1536 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 2688 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;chloride
4.2 InChI
InChI=1S/C21H22N3OS2.ClH/c1-4-23-13-9-8-10-15(23)14-18-24(5-2)20(25)19(27-18)21-22(3)16-11-6-7-12-17(16)26-21;/h6-14H,4-5H2,1-3H3;1H/q+1;/p-1/b21-19+;
4.3 InChIKey
VSKYOTRJSLYFHX-UXJRWBAGSA-M
4.4 Canonical SMILES
CCN1C(=CC2=CC=CC=[N+]2CC)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-]
4.5 Isomeric SMILES
CCN1/C(=C/C2=CC=CC=[N+]2CC)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O.[Cl-]
