2-(3,5-dimethylpyrazol-1-yl)ethanethiolate; palladium; triphenylphosphanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethanethiolate; palladium; triphenylphosphanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethanethiolate; palladium; triphenylphosphonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethanethiolate; palladium; triphenylphosphonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethanethiolate; palladium; triphenylphosphanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethanethiolate; palladium; triphenylphosphonium Formula: C50H54N4P2Pd2S2 MolecularWeight: 1049.908082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC[S-])C.CC1=CC(=NN1CC[S-])C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd].[Pd]

Isomeric SMILES

CC1=CC(=NN1CC[S-])C.CC1=CC(=NN1CC[S-])C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd].[Pd]

InChI

InChI=1S/2C18H15P.2C7H12N2S.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-6-5-7(2)9(8-6)3-4-10;;/h2*1-15H;2*5,10H,3-4H2,1-2H3;;