A1IAN
Summary
| Name: | (4-chlorophenyl)-[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone |
| Synonyms: | (4-Chlorophenyl)[2-(4-hydroxyphenyl)benzo[b]thiophen3-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)-[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H13ClO2S/c22-15-9-5-13(6-10-15)20(24)19-17-3-1-2-4-18(17)25-21(19)14-7-11-16(23)12-8-14/h1-12,23H |
| InChIKey | InChI | 1.06 | HTZYRZQECOXVQX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)c2sc3ccccc3c2C(=O)c4ccc(Cl)cc4 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)c2sc3ccccc3c2C(=O)c4ccc(Cl)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c(s2)c3ccc(cc3)O)C(=O)c4ccc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c(s2)c3ccc(cc3)O)C(=O)c4ccc(cc4)Cl |
