A2X
Summary
| Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide |
| Formula: | C20 H19 N3 O S2 |
| Formal charge: | 0 |
| Formula weight: | 381.514 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-(4-phenylsulfanylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H19N3OS2/c1-14-12-15(2)22-20(21-14)25-13-19(24)23-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,24) |
| InChIKey | InChI | 1.03 | KOUOSAPHOUALKH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3ccccc3)cc2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3ccccc3)cc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C |
