4NF
Summary
| Name: | N-(4-nitrophenyl)thioformamide |
| Synonyms: | 4-NITROPHENYL ISOTHIOCYANATE, bound form |
| Formula: | C7 H6 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 182.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-nitrophenyl)thioformamide |
| OpenEye OEToolkits | 1.7.6 | N-(4-nitrophenyl)methanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=CNc1ccc(cc1)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C7H6N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-5H,(H,8,12) |
| InChIKey | InChI | 1.03 | JMLSAESLDQZYBA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1ccc(NC=S)cc1 |
| SMILES | CACTVS | 3.370 | [O-][N+](=O)c1ccc(NC=S)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC=S)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1NC=S)[N+](=O)[O-] |
