ITF
Summary
| Name: | 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate |
| Formula: | C6 H10 N4 S |
| Formal charge: | 0 |
| Formula weight: | 170.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10) |
| InChIKey | InChI | 1.06 | PEHSVUKQDJULKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)SCCc1[nH]cnc1 |
| SMILES | CACTVS | 3.385 | NC(=N)SCCc1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/SCCc1cnc[nH]1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)CCSC(=N)N |
