Chemical Component Summary |
|---|
| Name | 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid |
|---|
| Identifiers | 5-[3-chloranyl-4-[[4-[2-(3,4-dichlorophenyl)pyrazol-3-yl]phenyl]methylcarbamothioyl]phenyl]furan-2-carboxylic acid |
|---|
| Formula | C28 H18 Cl3 N3 O3 S |
|---|
| Molecular Weight | 582.885 |
|---|
| Type | NON-POLYMER |
|---|
| Isomeric SMILES | c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl |
|---|
| InChI | InChI=1S/C28H18Cl3N3O3S/c29-21-8-6-19(14-23(21)31)34-24(11-12-33-34)17-3-1-16(2-4-17)15-32-27(38)20-7-5-18(13-22(20)30)25-9-10-26(37-25)28(35)36/h1-14H,15H2,(H,32,38)(H,35,36) |
|---|
| InChIKey | XXQKNGSPGDXDMG-UHFFFAOYSA-N |
|---|
