K34
Summary
| Name: | 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole |
| Formula: | C5 H4 N4 S |
| Formal charge: | 0 |
| Formula weight: | 152.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole |
| OpenEye OEToolkits | 2.0.6 | 2-(1~{H}-1,2,4-triazol-5-yl)-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(ncn1)c2nccs2 |
| InChI | InChI | 1.03 | InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9) |
| InChIKey | InChI | 1.03 | WFEGFRJBAYCOHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1ncnc1c2sccn2 |
| SMILES | CACTVS | 3.385 | [nH]1ncnc1c2sccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1csc(n1)c2[nH]ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1csc(n1)c2[nH]ncn2 |
