copper 5-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-thiolate diperchlorate

Systemtic Name: copper 5-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-thiolate diperchlorate Openeye Name: copper 5-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-thiolate diperchlorate CAS Name: copper 5-(2-methyl-4,6-diphenyl-1-pyridin-1-iumyl)-1,3,4-thiadiazole-2-thiolate diperchlorate IUPAC Name: copper 5-(2-methyl-4,6-diphenylpyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-thiolate diperchlorate Traditional Name: cupric 5-(2-methyl-4,6-diphenyl-pyridin-1-ium-1-yl)-1,3,4-thiadiazole-2-thiolate diperchlorate Formula: C40H30Cl2CuN6O8S4 MolecularWeight: 985.4136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=NN=C(S2)[S-])C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=CC(=[N+]1C2=NN=C(S2)[S-])C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+2]

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=NN=C(S2)[S-])C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC(=CC(=[N+]1C2=NN=C(S2)[S-])C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+2]

InChI

InChI=1S/2C20H15N3S2.2ClHO4.Cu/c2*1-14-12-17(15-8-4-2-5-9-15)13-18(16-10-6-3-7-11-16)23(14)19-21-22-20(24)25-19;2*2-1(3,4)5;/h2*2-13H,1H3;2*(H,2,3,4,5);/q;;;;+2/p-2