A1IXE
Summary
| Name: | 1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone |
| Formula: | C19 H24 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 388.484 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H24N4O3S/c1-14-3-5-16(6-4-14)23-15(2)20-21-18(23)27-11-17(24)22-8-10-25-9-7-19(22)12-26-13-19/h3-6H,7-13H2,1-2H3 |
| InChIKey | InChI | 1.06 | KUDKRWGVGOOBNR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)n2c(C)nnc2SCC(=O)N3CCOCCC34COC4 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)n2c(C)nnc2SCC(=O)N3CCOCCC34COC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)n2c(nnc2SCC(=O)N3CCOCCC34COC4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)n2c(nnc2SCC(=O)N3CCOCCC34COC4)C |
