1ZW
Summary
| Name: | N-[(4-cyanophenyl)methyl]methanethioamide |
| Formula: | C9 H8 N2 S |
| Formal charge: | 0 |
| Formula weight: | 176.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-cyanobenzyl)thioformamide |
| OpenEye OEToolkits | 1.9.2 | N-[(4-cyanophenyl)methyl]methanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)CNC=S |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2S/c10-5-8-1-3-9(4-2-8)6-11-7-12/h1-4,7H,6H2,(H,11,12) |
| InChIKey | InChI | 1.03 | YVOLFTYAZWTPDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=CNCc1ccc(cc1)C#N |
| SMILES | CACTVS | 3.385 | S=CNCc1ccc(cc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CNC=S)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1CNC=S)C#N |
