A4O
Summary
| Name: | N-(2,4-dihydroxybenzylidene)-thiosemicarbazone |
| Synonyms: | 1-[(E)-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea |
| Formula: | C8 H9 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 211.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(~{E})-[2,4-bis(oxidanyl)phenyl]methylideneamino]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H9N3O2S/c9-8(14)11-10-4-5-1-2-6(12)3-7(5)13/h1-4,12-13H,(H3,9,11,14)/b10-4+ |
| InChIKey | InChI | 1.06 | DZTQPWJXTVXKJK-ONNFQVAWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)N/N=C/c1ccc(O)cc1O |
| SMILES | CACTVS | 3.385 | NC(=S)NN=Cc1ccc(O)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1O)O)/C=N/NC(=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1O)O)C=NNC(=S)N |
