A3X
Summary
| Name: | N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone |
| Synonyms: | 1-[(E)-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]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})-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3O2S/c1-6(12-13-10(11)16)7-3-4-8(14)9(5-7)15-2/h3-5,14H,1-2H3,(H3,11,13,16)/b12-6+ |
| InChIKey | InChI | 1.06 | LSGUOKMONPPTRD-WUXMJOGZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)\C(C)=N\NC(N)=S |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1O)C(C)=NNC(N)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=N\NC(=S)N)/c1ccc(c(c1)OC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=NNC(=S)N)c1ccc(c(c1)OC)O |
