N8Z
Summary
| Name: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol |
| Formula: | C9 H12 Cl N5 S |
| Formal charge: | 0 |
| Formula weight: | 257.743 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12ClN5S/c1-4-15-8(11-12-9(15)16)7-6(10)5(2)14(3)13-7/h4H2,1-3H3,(H,12,16) |
| InChIKey | InChI | 1.03 | JETJARLUFXKWGL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(S)nnc1c2nn(C)c(C)c2Cl |
| SMILES | CACTVS | 3.385 | CCn1c(S)nnc1c2nn(C)c(C)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl |
