U5U
Summary
| Name: | 2-chloranyl-~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{4}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
| Formula: | C15 H15 Cl N4 Pd S |
| Formal charge: | null |
| Formula weight: | 425.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | chlorido{N,N-dimethyl-N'-[phenyl(pyridin-2-yl-kappaN)methylidene]carbamohydrazonothioato-kappa~2~N',S}palladium |
| OpenEye OEToolkits | 3.1.0.0 | 2-chloranyl-~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{4}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)C1=NN2=C(c3ccccn3[Pd]2(Cl)S1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H16N4S.ClH.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;;/h3-11H,1-2H3,(H,18,20);1H;/q;;+2/p-2/b17-14+;; |
| InChIKey | InChI | 1.06 | USEPHFYVPZYSIQ-WTLOABTRSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd]Cl |
| SMILES | CACTVS | 3.385 | CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd]Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(C)C1=N[N]2=C(C3=CC=CC=[N]3[Pd]2(S1)Cl)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(C)C1=N[N]2=C(C3=CC=CC=[N]3[Pd]2(S1)Cl)c4ccccc4 |
