UUD
Summary
| Name: | N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE |
| Formula: | C9 H8 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 192.238 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]acetamide |
| OpenEye OEToolkits | 1.7.6 | (NZ)-N-(3H-1,3-benzothiazol-2-ylidene)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(/N=C2\Sc1ccccc1N2)C |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2OS/c1-6(12)10-9-11-7-4-2-3-5-8(7)13-9/h2-5H,1H3,(H,10,11,12) |
| InChIKey | InChI | 1.03 | RIYZWBJLPINWTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N=C1Nc2ccccc2S1 |
| SMILES | CACTVS | 3.385 | CC(=O)N=C1Nc2ccccc2S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)/N=C\1/Nc2ccccc2S1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)N=C1Nc2ccccc2S1 |
