JGV
Summary
| Name: | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
| Formula: | C11 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 251.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
| OpenEye OEToolkits | 2.0.6 | 2,3-dihydro-1,2,3-benzothiadiazol-5-yl(morpholin-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3N(C(c1ccc2c(c1)NNS2)=O)CCOC3 |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7,12-13H,3-6H2 |
| InChIKey | InChI | 1.03 | GVBDJDHROSBCGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N1CCOCC1)c2ccc3SNNc3c2 |
| SMILES | CACTVS | 3.385 | O=C(N1CCOCC1)c2ccc3SNNc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)N3CCOCC3)NNS2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1C(=O)N3CCOCC3)NNS2 |
