A1AXZ
Summary
| Name: | 3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one |
| Formula: | C11 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 220.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one |
| OpenEye OEToolkits | 2.0.7 | 3-(2-phenylethyl)-2-sulfanylidene-imidazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CNC(=S)N1CCc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2OS/c14-10-8-12-11(15)13(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15) |
| InChIKey | InChI | 1.06 | CZWMOPMDVYDARG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CNC(=S)N1CCc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1CNC(=S)N1CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2C(=O)CNC2=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2C(=O)CNC2=S |
