A1CPL
Summary
| Name: | 5-chloro-2-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]sulfanyl}-1H-1,3-benzimidazole |
| Formula: | C13 H13 Cl N4 O S |
| Formal charge: | 0 |
| Formula weight: | 308.787 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-chloro-2-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]sulfanyl}-1H-1,3-benzimidazole |
| OpenEye OEToolkits | 3.1.0.0 | 5-[3-[(5-chloranyl-1~{H}-benzimidazol-2-yl)sulfanyl]propyl]-3-methyl-1,2,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nc(CCCSc2nc3cc(Cl)ccc3[NH]2)on1 |
| InChI | InChI | 1.06 | InChI=1S/C13H13ClN4OS/c1-8-15-12(19-18-8)3-2-6-20-13-16-10-5-4-9(14)7-11(10)17-13/h4-5,7H,2-3,6H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.06 | RCAHBTGXAMSEQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1noc(CCCSc2[nH]c3ccc(Cl)cc3n2)n1 |
| SMILES | CACTVS | 3.385 | Cc1noc(CCCSc2[nH]c3ccc(Cl)cc3n2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(on1)CCCSc2[nH]c3ccc(cc3n2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(on1)CCCSc2[nH]c3ccc(cc3n2)Cl |
