bis(chloranyl)palladium; 2-(7H-purin-1-ium-6-ylsulfanyl)ethanenitrile

Systemtic Name: bis(chloranyl)palladium; 2-(7H-purin-1-ium-6-ylsulfanyl)ethanenitrile Openeye Name: dichloropalladium; 2-(7H-purin-1-ium-6-ylsulfanyl)acetonitrile CAS Name: dichloropalladium; 2-(7H-purin-1-ium-6-ylthio)acetonitrile IUPAC Name: dichloropalladium; 2-(7H-purin-1-ium-6-ylsulfanyl)acetonitrile Traditional Name: dichloropalladium; 2-(7H-purin-1-ium-6-ylthio)acetonitrile Formula: C28H24Cl2N20PdS4+4 MolecularWeight: 946.21016

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.Cl[Pd]Cl

Isomeric SMILES

C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.C1=NC2=C(N1)C(=[NH+]C=N2)SCC#N.Cl[Pd]Cl

InChI

InChI=1S/4C7H5N5S.2ClH.Pd/c4*8-1-2-13-7-5-6(10-3-9-5)11-4-12-7;;;/h4*3-4H,2H2,(H,9,10,11,12);2*1H;/q;;;;;;+2/p+2