TH4
Summary
| Name: | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide |
| Formula: | C10 H9 Cl N4 S |
| Formal charge: | 0 |
| Formula weight: | 252.723 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide |
| OpenEye OEToolkits | 1.5.0 | (Z)-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ncc(cc1)CN2C(=N\C#N)\SCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(CN2CCSC2=NC#N)cn1 |
| SMILES | CACTVS | 3.341 | Clc1ccc(CN2CCSC2=NC#N)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1CN\2CCS/C2=N\C#N)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ncc1CN2CCSC2=NC#N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10- |
| InChIKey | InChI | 1.03 | HOKKPVIRMVDYPB-UVTDQMKNSA-N |
