U5U
Summary
| Name: | ~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
| Formula: | C15 H15 N4 Pd S |
| Formal charge: | 0 |
| Formula weight: | 389.791 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16N4S.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);/q;+1/p-1/b17-14+; |
| InChIKey | InChI | 1.06 | KOLIMVKKIDYABX-KLSJZZFUSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd] |
| SMILES | CACTVS | 3.385 | CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C1=N[N]2=C(C3=CC=CC=[N]3[Pd]2S1)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1=N[N]2=C(C3=CC=CC=[N]3[Pd]2S1)c4ccccc4 |
