VTX
Summary
| Name: | Vortioxetine |
| Synonyms: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine |
| Formula: | C18 H22 N2 S |
| Formal charge: | 0 |
| Formula weight: | 298.446 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
| InChIKey | InChI | 1.06 | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3 |
