HYR
Summary
| Name: | N-(2-phenoxyethyl)methanethioamide |
| Formula: | C9 H11 N O S |
| Formal charge: | 0 |
| Formula weight: | 181.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-phenoxyethyl)methanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11NOS/c12-8-10-6-7-11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,12) |
| InChIKey | InChI | 1.03 | GZNWNJDVFSIFLF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=CNCCOc1ccccc1 |
| SMILES | CACTVS | 3.385 | S=CNCCOc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCCNC=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OCCNC=S |
