carbanide; ethanenitrile; palladium(2+); 2-pyridin-2-ylpyridine; tris(fluoranyl)methanesulfonate

Systemtic Name: carbanide; ethanenitrile; palladium(2+); 2-pyridin-2-ylpyridine; tris(fluoranyl)methanesulfonate Openeye Name: acetonitrile; carbanide; palladium(2+); 2-(2-pyridyl)pyridine; trifluoromethanesulfonate CAS Name: acetonitrile; carbanide; palladium(2+); 2-(2-pyridinyl)pyridine; trifluoromethanesulfonate IUPAC Name: acetonitrile; carbanide; palladium(2+); 2-pyridin-2-ylpyridine; trifluoromethanesulfonate Traditional Name: acetonitrile; carbanide; palladium(2+); 2-(2-pyridyl)pyridine; triflate Formula: C14H14F3N3O3PdS MolecularWeight: 467.75947

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CC#N.C1=CC=NC(=C1)C2=CC=CC=N2.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

Isomeric SMILES

[CH3-].CC#N.C1=CC=NC(=C1)C2=CC=CC=N2.C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

InChI

InChI=1S/C10H8N2.C2H3N.CHF3O3S.CH3.Pd/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;2-1(3,4)8(5,6)7;;/h1-8H;1H3;(H,5,6,7);1H3;/q;;;-1;+2/p-1