7R4
Summary
| Name: | (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| Formula: | C10 H9 N O S2 |
| Formal charge: | 0 |
| Formula weight: | 223.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| OpenEye OEToolkits | 2.0.6 | (5~{R})-5-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)CC2C(NC(=S)S2)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | HEFVAMUJRPNDFW-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=S)S[C@@H]1Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C1NC(=S)S[CH]1Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC2C(=O)NC(=S)S2 |
