N,N-dimethyl-N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; iron(3+); hexafluorophosphate

Systemtic Name: N,N-dimethyl-N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; iron(3+); hexafluorophosphate Openeye Name: ferric N,N-dimethyl-N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate hexafluorophosphate CAS Name: N,N-dimethyl-N'-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate; iron(3+); hexafluorophosphate IUPAC Name: N,N-dimethyl-N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; iron(3+); hexafluorophosphate Traditional Name: ferric N,N-dimethyl-N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate hexafluorophosphate Formula: C20H26F6FeN8PS2 MolecularWeight: 643.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N(C)C)[S-])C1=CC=CC=N1.CC(=NN=C(N(C)C)[S-])C1=CC=CC=N1.F[P-](F)(F)(F)(F)F.[Fe+3]

Isomeric SMILES

C/C(=N\N=C(/[S-])\N(C)C)/C1=CC=CC=N1.C/C(=N\N=C(/[S-])\N(C)C)/C1=CC=CC=N1.F[P-](F)(F)(F)(F)F.[Fe+3]

InChI

InChI=1S/2C10H14N4S.F6P.Fe/c2*1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3;1-7(2,3,4,5)6;/h2*4-7H,1-3H3,(H,13,15);;/q;;-1;+3/p-2/b2*12-8+;;