FF2
Summary
| Name: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide |
| Formula: | C9 H6 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 227.667 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12) |
| InChIKey | InChI | 1.03 | IHGVZTXLHUWVIA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1sc2cccc(Cl)c2c1 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1sc2cccc(Cl)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc(s2)C(=O)NO)c(c1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc(s2)C(=O)NO)c(c1)Cl |
