T4Q
Summary
| Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
| Formula: | C17 H16 N2 O S2 |
| Formal charge: | 0 |
| Formula weight: | 328.452 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20) |
| InChIKey | InChI | 1.03 | GHSJGVJIDUIVOP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N |
| SMILES | CACTVS | 3.385 | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C#N)Sc2ccccc2C(=O)NCCCS |
