A1IAM
Summary
| Name: | (4-chlorophenyl)-(6-oxidanyl-2-phenyl-1-benzothiophen-3-yl)methanone |
| Synonyms: | (4-Chlorophenyl)[6-hydroxy-2-phenylbenzo[b]thiophen-3-yl]methanone |
| Formula: | C21 H13 Cl O2 S |
| Formal charge: | 0 |
| Formula weight: | 364.845 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-chlorophenyl)-(6-oxidanyl-2-phenyl-1-benzothiophen-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H13ClO2S/c22-15-8-6-13(7-9-15)20(24)19-17-11-10-16(23)12-18(17)25-21(19)14-4-2-1-3-5-14/h1-12,23H |
| InChIKey | InChI | 1.06 | HKHKKZZFJJXUGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2c(sc(c3ccccc3)c2C(=O)c4ccc(Cl)cc4)c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc2c(sc(c3ccccc3)c2C(=O)c4ccc(Cl)cc4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)Cl |
