LF5
Summary
| Name: | 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
| Formula: | C12 H13 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 268.762 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClN2OS/c1-6(2)16-9-4-3-8(13)7-5-10(12(14)15)17-11(7)9/h3-6H,1-2H3,(H3,14,15) |
| InChIKey | InChI | 1.03 | RFZOPKHHJPMIJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)Cl |
