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 |