T4W
Summary
| Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide |
| Formula: | C16 H14 N2 O S2 |
| Formal charge: | 0 |
| Formula weight: | 314.425 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19) |
| InChIKey | InChI | 1.03 | WBGJMSQTNYMXAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCCNC(=O)c1ccccc1Sc2ccccc2C#N |
| SMILES | CACTVS | 3.385 | SCCNC(=O)c1ccccc1Sc2ccccc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCS |
