V99
Summary
| Name: | 3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine |
| Formula: | C6 H12 N4 S |
| Formal charge: | 0 |
| Formula weight: | 172.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-ethyl-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine |
| OpenEye OEToolkits | 2.0.7 | 3-ethyl-5-ethylsulfanyl-1,2,4-triazol-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCSc1nnc(CC)n1N |
| InChI | InChI | 1.06 | InChI=1S/C6H12N4S/c1-3-5-8-9-6(10(5)7)11-4-2/h3-4,7H2,1-2H3 |
| InChIKey | InChI | 1.06 | OXLLCDWVFPLRIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSc1nnc(CC)n1N |
| SMILES | CACTVS | 3.385 | CCSc1nnc(CC)n1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1nnc(n1N)SCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1nnc(n1N)SCC |
