EZO
Summary
| Name: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid |
| Formula: | C18 H14 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 371.841 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(~{E})-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H14ClN3O2S/c1-22(20-10-12-6-2-3-7-13(12)17(23)24)18-21-16(11-25-18)14-8-4-5-9-15(14)19/h2-11H,1H3,(H,23,24)/b20-10+ |
| InChIKey | InChI | 1.03 | MWIQPUXVXAVFRM-KEBDBYFISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(\N=C\c1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl |
| SMILES | CACTVS | 3.385 | CN(N=Cc1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1nc(cs1)c2ccccc2Cl)N=Cc3ccccc3C(=O)O |
