32H
Summary
| Name: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile |
| Synonyms: | Br2-A769662core |
| Formula: | C14 H6 Br2 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 426.083 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile |
| OpenEye OEToolkits | 1.7.6 | 2-bromanyl-3-(4-bromophenyl)-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc3ccc(c1c2C(O)=C(C#N)C(=O)Nc2sc1Br)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H6Br2N2O2S/c15-7-3-1-6(2-4-7)9-10-11(19)8(5-17)13(20)18-14(10)21-12(9)16/h1-4H,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | BLJQBTCHXOTSEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(C#N)C(=O)Nc2sc(Br)c(c3ccc(Br)cc3)c12 |
| SMILES | CACTVS | 3.385 | OC1=C(C#N)C(=O)Nc2sc(Br)c(c3ccc(Br)cc3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c3c(sc2Br)NC(=O)C(=C3O)C#N)Br |
