Y4E
Summary
| Name: | [(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol |
| Formula: | C10 H12 N2 S2 |
| Formal charge: | 0 |
| Formula weight: | 224.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2S2/c13-5-10-12-8-4-2-1-3-7(8)11-9(12)6-14-10/h1-4,9-11,13H,5-6H2/t9-,10-/m1/s1 |
| InChIKey | InChI | 1.06 | PBXWHODMWKJRIF-NXEZZACHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SC[C@H]1SC[C@@H]2Nc3ccccc3N12 |
| SMILES | CACTVS | 3.385 | SC[CH]1SC[CH]2Nc3ccccc3N12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N[C@@H]3N2[C@H](SC3)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)NC3N2C(SC3)CS |
