A7L
Summary
| Name: | N-(2,5-dihydroxybenzylidene)-thiosemicarbazone |
| Synonyms: | 1-[(E)-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea |
| Formula: | C10 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 239.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(~{E})-[2,5-bis(oxidanyl)phenyl]methylideneamino]-3-ethyl-thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-6-7-5-8(14)3-4-9(7)15/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+ |
| InChIKey | InChI | 1.06 | HCOXBSXZYFWFSP-WUXMJOGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=S)N/N=C/c1cc(O)ccc1O |
| SMILES | CACTVS | 3.385 | CCNC(=S)NN=Cc1cc(O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=S)N/N=C/c1cc(ccc1O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=S)NN=Cc1cc(ccc1O)O |
