IX2
Summary
| Name: | 2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole |
| Formula: | C17 H16 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 345.846 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-6,7-dihydro-1~{H}-furo[2,3-f]benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1c(Cl)c(C)cnc1CSc1nc2cc3OCCc3cc2[NH]1 |
| InChI | InChI | 1.03 | InChI=1S/C17H16ClN3OS/c1-9-7-19-14(10(2)16(9)18)8-23-17-20-12-5-11-3-4-22-15(11)6-13(12)21-17/h5-7H,3-4,8H2,1-2H3,(H,20,21) |
| InChIKey | InChI | 1.03 | ODAHTCFMDSLFIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc(CSc2[nH]c3cc4CCOc4cc3n2)c(C)c1Cl |
| SMILES | CACTVS | 3.385 | Cc1cnc(CSc2[nH]c3cc4CCOc4cc3n2)c(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1Cl)C)CSc2[nH]c3cc4c(cc3n2)OCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1Cl)C)CSc2[nH]c3cc4c(cc3n2)OCC4 |
