JOJ
Summary
| Name: | 2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide |
| Formula: | C5 H5 Cl2 N3 S |
| Formal charge: | 0 |
| Formula weight: | 210.084 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide |
| OpenEye OEToolkits | 2.0.6 | 2-[4,5-bis(chloranyl)imidazol-1-yl]ethanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(n(CC(N)=S)cnc1Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C5H5Cl2N3S/c6-4-5(7)10(2-9-4)1-3(8)11/h2H,1H2,(H2,8,11) |
| InChIKey | InChI | 1.03 | LDYDMLUTTJALOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)Cn1cnc(Cl)c1Cl |
| SMILES | CACTVS | 3.385 | NC(=S)Cn1cnc(Cl)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1nc(c(n1CC(=S)N)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1nc(c(n1CC(=S)N)Cl)Cl |
