RKO
Summary
| Name: | 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide |
| Formula: | C14 H11 Cl N4 O S |
| Formal charge: | 0 |
| Formula weight: | 318.781 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H11ClN4OS/c15-9-5-6-12(16-7-9)19-13(20)8-21-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,17,18)(H,16,19,20) |
| InChIKey | InChI | 1.06 | OOYJNUNOVRCHJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)[nH]c(n2)SCC(=O)Nc3ccc(cn3)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)[nH]c(n2)SCC(=O)Nc3ccc(cn3)Cl |
