C7C
Summary
| Name: | 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate |
| Formula: | C9 H4 Cl N2 O2 S2 |
| Formal charge: | -1 |
| Formula weight: | 271.723 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate |
| OpenEye OEToolkits | 1.5.0 | 5-(4-chlorophenyl)sulfanyl-1,2,3-thiadiazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C([O-])c2nnsc2Sc1ccc(Cl)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-]C(=O)c1nnsc1Sc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.341 | [O-]C(=O)c1nnsc1Sc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H5ClN2O2S2/c10-5-1-3-6(4-2-5)15-9-7(8(13)14)11-12-16-9/h1-4H,(H,13,14)/p-1 |
| InChIKey | InChI | 1.03 | NDYKFFAREALEPX-UHFFFAOYSA-M |
