A1IGA
Summary
| Name: | Lansoprazole sulfide |
| Synonyms: | 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole |
| Formula: | C16 H14 F3 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 353.362 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) |
| InChIKey | InChI | 1.06 | CCHLMSUZHFPSFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(CSc2[nH]c3ccccc3n2)nccc1OCC(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1c(CSc2[nH]c3ccccc3n2)nccc1OCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccnc1CSc2[nH]c3ccccc3n2)OCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccnc1CSc2[nH]c3ccccc3n2)OCC(F)(F)F |
