A6Q
Summary
| Name: | N-(3,4-dihydroxybenzylidene)-thiosemicarbazone |
| Synonyms: | 1-[(E)-[3,4-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})-[3,4-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)13-12-6-7-3-4-8(14)9(15)5-7/h3-6,14-15H,2H2,1H3,(H2,11,13,16)/b12-6+ |
| InChIKey | InChI | 1.06 | WJWMULSSSFEIJZ-WUXMJOGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=S)N/N=C/c1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCNC(=S)NN=Cc1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=S)N/N=C/c1ccc(c(c1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=S)NN=Cc1ccc(c(c1)O)O |
