YRH
Summary
| Name: | ~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide |
| Formula: | C11 H14 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 270.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2O2S2/c1-2-3-4-5-8(14)13-9-10-7(6-16-17-10)12-11(9)15/h6H,2-5H2,1H3,(H,12,15)(H,13,14) |
| InChIKey | InChI | 1.06 | YBDAGRFUBLIKGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)NC1=C2SSC=C2NC1=O |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)NC1=C2SSC=C2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC(=O)NC1=C2C(=CSS2)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC(=O)NC1=C2C(=CSS2)NC1=O |
