UHM
Summary
| Name: | 2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide |
| Formula: | C13 H11 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 273.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | 2-(cyanomethoxy)-~{N}-(1,2-thiazol-4-ylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2scc(CNC(c1c(OCC#N)cccc1)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O2S/c14-5-6-18-12-4-2-1-3-11(12)13(17)15-7-10-8-16-19-9-10/h1-4,8-9H,6-7H2,(H,15,17) |
| InChIKey | InChI | 1.03 | PZOXHLAZHKNFDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1csnc1)c2ccccc2OCC#N |
| SMILES | CACTVS | 3.385 | O=C(NCc1csnc1)c2ccccc2OCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N |
