JA9
Summary
| Name: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole |
| Synonyms: | Triclabendazole |
| Formula: | C14 H9 Cl3 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 359.658 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | NQPDXQQQCQDHHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1 |
| SMILES | CACTVS | 3.385 | CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl |
