GM5
Summary
| Name: | ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide |
| Formula: | C16 H14 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 326.373 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21) |
| InChIKey | InChI | 1.03 | DORPIZJGSLWDIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO |
