N8N
Summary
| Name: | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one |
| Formula: | C14 H11 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 290.768 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one |
| OpenEye OEToolkits | 1.7.6 | (2S)-3-(3-chlorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N(c1cc(Cl)ccc1)C(SC2)c3ncccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClN2OS/c15-10-4-3-5-11(8-10)17-13(18)9-19-14(17)12-6-1-2-7-16-12/h1-8,14H,9H2/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | XBARGMZJUZLYLI-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)N2[C@@H](SCC2=O)c3ccccn3 |
| SMILES | CACTVS | 3.385 | Clc1cccc(c1)N2[CH](SCC2=O)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)C2N(C(=O)CS2)c3cccc(c3)Cl |
