8DS
Summary
| Name: | 4-chloranyl-N-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide |
| Formula: | C16 H12 Cl2 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 351.25 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-~{N}-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)5-6-20-16(21)14-7-12-13(18)8-19-9-15(12)22-14/h1-4,7-9H,5-6H2,(H,20,21) |
| InChIKey | InChI | 1.06 | QRJZINDCUNBUGT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CCNC(=O)c2sc3cncc(Cl)c3c2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CCNC(=O)c2sc3cncc(Cl)c3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl |
