| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cl[Cu]34SC(=NN4C(c1ncccc1)=C2N3C=CC=C2)SC |
| InChI | InChI | 1.03 | InChI=1S/C13H12N4S2.ClH.Cu/c1-19-13(18)17-16-12(10-6-2-4-8-14-10)11-7-3-5-9-15-11;;/h2-9H,1H3,(H-,14,15,17,18);1H;/q-2;;+4/p-2 |
| InChIKey | InChI | 1.03 | YLWQIHKUHNHPEC-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.370 | CSC1=NN2C(=C3C=CC=CN3[Cu@]2(Cl)S1)c4ccccn4 |
| SMILES | CACTVS | 3.370 | CSC1=NN2C(=C3C=CC=CN3[Cu]2(Cl)S1)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSC1=NN2C(=C3C=CC=CN3[Cu]2(S1)Cl)c4ccccn4 |
