HB3
Summary
| Name: | 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine |
| Formula: | C4 H8 N4 S |
| Formal charge: | 0 |
| Formula weight: | 144.198 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1~{H}-1,2,4-triazol-5-ylsulfanyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C4H8N4S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2,5H2,(H,6,7,8) |
| InChIKey | InChI | 1.03 | VKHQZYSNDYRJDZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCSc1[nH]ncn1 |
| SMILES | CACTVS | 3.385 | NCCSc1[nH]ncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc([nH]n1)SCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc([nH]n1)SCCN |
