B3B
Summary
| Name: | 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde |
| Formula: | C17 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 307.37 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde |
| OpenEye OEToolkits | 1.7.6 | 2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc3c(/C=N/Nc1nc(cs1)c2ccccc2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H13N3OS/c21-11-15-9-5-4-8-14(15)10-18-20-17-19-16(12-22-17)13-6-2-1-3-7-13/h1-12H,(H,19,20)/b18-10+ |
| InChIKey | InChI | 1.03 | IGARVLMWRSOJOY-VCHYOVAHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccccc1/C=N/Nc2scc(n2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=Cc1ccccc1C=NNc2scc(n2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2csc(n2)N/N=C/c3ccccc3C=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2csc(n2)NN=Cc3ccccc3C=O |
