A98
Summary
| Name: | methyl ~{N}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate |
| Formula: | C6 H9 N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 219.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl ~{N}-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O2S2/c1-3-12-6-9-8-4(13-6)7-5(10)11-2/h3H2,1-2H3,(H,7,8,10) |
| InChIKey | InChI | 1.03 | SSCYIPXZAWJONZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSc1sc(NC(=O)OC)nn1 |
| SMILES | CACTVS | 3.385 | CCSc1sc(NC(=O)OC)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCSc1nnc(s1)NC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCSc1nnc(s1)NC(=O)OC |
