V3J
Summary
| Name: | (4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
| Formula: | C11 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 249.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | 1,2,3-benzothiadiazol-5-yl(morpholin-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3N(C(c2ccc1c(nns1)c2)=O)CCOC3 |
| InChI | InChI | 1.03 | InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2 |
| InChIKey | InChI | 1.03 | NDUBYKRNILHJSF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCOCC1)c2ccc3snnc3c2 |
| SMILES | CACTVS | 3.385 | O=C(N1CCOCC1)c2ccc3snnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)N3CCOCC3)nns2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)N3CCOCC3)nns2 |
