259
Summary
| Name: | 1-(methylsulfanyl)-4-nitrobenzene |
| Formula: | C7 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 169.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(methylsulfanyl)-4-nitrobenzene |
| OpenEye OEToolkits | 1.5.0 | 1-methylsulfanyl-4-nitro-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | methyl 4-nitrophenyl sulfide |
| SMILES_CANONICAL | CACTVS | 3.341 | CSc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CSc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSc1ccc(cc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSc1ccc(cc1)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | NEZGPRYOJVPJKL-UHFFFAOYSA-N |
