Z87
Summary
| Name: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea |
| Synonyms: | 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea |
| Formula: | C18 H21 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 355.457 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(1,3-thiazol-2-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C)C |
| SMILES | CACTVS | 3.352 | Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3nccs3 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5OS/c1-12-5-7-13(8-6-12)23-15(11-14(22-23)18(2,3)4)20-16(24)21-17-19-9-10-25-17/h5-11H,1-4H3,(H2,19,20,21,24) |
| InChIKey | InChI | 1.03 | YHFISDMDEBLKPE-UHFFFAOYSA-N |
