A6N
Summary
| Name: | 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole |
| Formula: | C15 H16 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 332.378 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10,20-21H,11,16H2 |
| InChIKey | InChI | 1.03 | CAKKFQLFMKZHOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](O)(O)c1ccc(OCc2cn(nn2)c3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | N[S](O)(O)c1ccc(OCc2cn(nn2)c3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O |
