VYO
Summary
| Name: | methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate |
| Formula: | C5 H7 N3 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 205.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)CSc1nnc(N)s1 |
| InChI | InChI | 1.06 | InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7) |
| InChIKey | InChI | 1.06 | ASSFIPIQXCHMOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CSc1sc(N)nn1 |
| SMILES | CACTVS | 3.385 | COC(=O)CSc1sc(N)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CSc1nnc(s1)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CSc1nnc(s1)N |
