35J
Summary
| Name: | N-(pyridin-3-ylmethyl)thioformamide |
| Formula: | C7 H8 N2 S |
| Formal charge: | 0 |
| Formula weight: | 152.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pyridin-3-ylmethyl)thioformamide |
| OpenEye OEToolkits | 1.9.2 | N-(pyridin-3-ylmethyl)methanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=CNCc1cccnc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4,6H,5H2,(H,9,10) |
| InChIKey | InChI | 1.03 | HIZAQBZIUYYGKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=CNCc1cccnc1 |
| SMILES | CACTVS | 3.385 | S=CNCc1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)CNC=S |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)CNC=S |
