LWZ
Summary
| Name: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide |
| Formula: | C6 H10 N4 O S2 |
| Formal charge: | 0 |
| Formula weight: | 218.3 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10) |
| InChIKey | InChI | 1.03 | AIOYUZNWKHEZES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SC(S)CC(=O)NCc1c[nH]nn1 |
| SMILES | CACTVS | 3.385 | SC(S)CC(=O)NCc1c[nH]nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(nn[nH]1)CNC(=O)CC(S)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(nn[nH]1)CNC(=O)CC(S)S |
