JS3
Summary
| Name: | 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide |
| Formula: | C15 H11 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 302.779 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 2-chloranyl-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(Cl)nc1C)Nc3cc2ccccc2cc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | JUNYYPFCTFDDHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(Cl)sc1C(=O)Nc2ccc3ccccc3c2 |
| SMILES | CACTVS | 3.370 | Cc1nc(Cl)sc1C(=O)Nc2ccc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)Cl)C(=O)Nc2ccc3ccccc3c2 |
