YRD
Summary
| Name: | ~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide |
| Formula: | C12 H16 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 284.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2O2S2/c1-3-4-5-6-9(15)13-10-11-8(7-17-18-11)14(2)12(10)16/h7H,3-6H2,1-2H3,(H,13,15) |
| InChIKey | InChI | 1.06 | ZXLPBBAXZZCKNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)NC1=C2SSC=C2N(C)C1=O |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)NC1=C2SSC=C2N(C)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC(=O)NC1=C2C(=CSS2)N(C1=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC(=O)NC1=C2C(=CSS2)N(C1=O)C |
