A1CPM
Summary
| Name: | 2-[(5-chloro-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide |
| Formula: | C9 H8 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 241.697 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[(5-chloro-1H-1,3-benzimidazol-2-yl)sulfanyl]acetamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(5-chloranyl-1~{H}-benzimidazol-2-yl)sulfanyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)CSc1nc2cc(Cl)ccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8ClN3OS/c10-5-1-2-6-7(3-5)13-9(12-6)15-4-8(11)14/h1-3H,4H2,(H2,11,14)(H,12,13) |
| InChIKey | InChI | 1.06 | UGYNSUKJSKVRDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CSc1[nH]c2ccc(Cl)cc2n1 |
| SMILES | CACTVS | 3.385 | NC(=O)CSc1[nH]c2ccc(Cl)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)nc([nH]2)SCC(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)nc([nH]2)SCC(=O)N |
