ZYT
Summary
| Name: | 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol |
| Formula: | C9 H10 N2 O S2 |
| Formal charge: | 0 |
| Formula weight: | 226.318 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol |
| OpenEye OEToolkits | 1.6.1 | 2-methylsulfanyl-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Oc1nc(SC)nc1Cc2sccc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | CSc1[nH]c(Cc2sccc2)c(O)n1 |
| SMILES | CACTVS | 3.352 | CSc1[nH]c(Cc2sccc2)c(O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CSc1[nH]c(c(n1)O)Cc2cccs2 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CSc1[nH]c(c(n1)O)Cc2cccs2 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-4,12H,5H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | QWYGHJVEZLVLSU-UHFFFAOYSA-N |
