UUL
Summary
| Name: | 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol |
| 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 | 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol |
| OpenEye OEToolkits | 1.7.6 | 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3ccc(c1nc(sc1)Nc2ccc(O)cc2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18) |
| InChIKey | InChI | 1.03 | ZFGXZJKLOFCECI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1 |
| SMILES | CACTVS | 3.370 | Oc1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl |
