A1JZA
Summary
| Name: | (E)-2-(4-(4-((4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl)-2-hydroxyphenoxy)benzylidene)hydrazine-1-carbothioamide |
| Synonyms: | 1-[({E})-[4-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]phenyl]methylideneamino]thiourea |
| Formula: | C20 H20 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 408.477 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(~{E})-[4-[4-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]phenyl]methylideneamino]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H20N6O2S/c21-20(29)24-22-10-13-1-6-16(7-2-13)28-19-8-3-14(9-18(19)27)11-26-12-17(23-25-26)15-4-5-15/h1-3,6-10,12,15,27H,4-5,11H2,(H3,21,24,29)/b22-10+ |
| InChIKey | InChI | 1.06 | QKIHAATZRZYHAG-LSHDLFTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)N\N=C\c1ccc(Oc2ccc(Cn3cc(nn3)C4CC4)cc2O)cc1 |
| SMILES | CACTVS | 3.385 | NC(=S)NN=Cc1ccc(Oc2ccc(Cn3cc(nn3)C4CC4)cc2O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=N/NC(=S)N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=NNC(=S)N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4 |
