J4J
Summary
| Name: | 2-[(2-nitrophenyl)sulfanyl]acetohydrazide |
| Formula: | C8 H9 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 227.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-nitrophenyl)sulfanyl]acetohydrazide |
| OpenEye OEToolkits | 2.0.6 | 2-(2-nitrophenyl)sulfanylethanehydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+](c1ccccc1SCC(NN)=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12) |
| InChIKey | InChI | 1.03 | CZXFCCXLFQCYBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=O)CSc1ccccc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | NNC(=O)CSc1ccccc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)[N+](=O)[O-])SCC(=O)NN |
