5VM
Summary
| Name: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione |
| Formula: | C7 H4 Cl N O S |
| Formal charge: | 0 |
| Formula weight: | 185.631 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11) |
| InChIKey | InChI | 1.03 | BOBIZYYFYLLRAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2OC(=S)Nc2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2OC(=S)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1Cl)NC(=S)O2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1Cl)NC(=S)O2 |
