A1L6Q
Summary
| Name: | (2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile |
| Synonyms: | lanoconazole |
| Formula: | C14 H10 Cl N3 S2 |
| Formal charge: | 0 |
| Formula weight: | 319.832 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | ZRTQSJFIDWNVJW-REQDGWNSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1[C@@H]2CSC(/S2)=C(/C#N)n3ccnc3 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1[CH]2CSC(S2)=C(C#N)n3ccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)[C@@H]2CS/C(=C(/C#N)\n3ccnc3)/S2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C2CSC(=C(C#N)n3ccnc3)S2)Cl |
