iron(3+); (NE,1Z)-N-(1-pyridin-2-ylethylidene)pyrrolidine-1-carbohydrazonothioate; hexafluorophosphate

Systemtic Name: iron(3+); (NE,1Z)-N-(1-pyridin-2-ylethylidene)pyrrolidine-1-carbohydrazonothioate; hexafluorophosphate Openeye Name: ferric (NE,1Z)-N-[1-(2-pyridyl)ethylidene]pyrrolidine-1-carbohydrazonothioate hexafluorophosphate CAS Name: iron(3+); (NE,1Z)-N-[1-(2-pyridinyl)ethylidene]-1-pyrrolidinecarbohydrazonothioate; hexafluorophosphate IUPAC Name: iron(3+); (NE,1Z)-N-(1-pyridin-2-ylethylidene)pyrrolidine-1-carbohydrazonothioate; hexafluorophosphate Traditional Name: ferric (NE,1Z)-N-[1-(2-pyridyl)ethylidene]pyrrolidine-1-carbohydrazonothioate hexafluorophosphate Formula: C24H30F6FeN8PS2 MolecularWeight: 695.48778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N1CCCC1)[S-])C2=CC=CC=N2.CC(=NN=C(N1CCCC1)[S-])C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Fe+3]

Isomeric SMILES

C/C(=N\N=C(/[S-])\N1CCCC1)/C2=CC=CC=N2.C/C(=N\N=C(/[S-])\N1CCCC1)/C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Fe+3]

InChI

InChI=1S/2C12H16N4S.F6P.Fe/c2*1-10(11-6-2-3-7-13-11)14-15-12(17)16-8-4-5-9-16;1-7(2,3,4,5)6;/h2*2-3,6-7H,4-5,8-9H2,1H3,(H,15,17);;/q;;-1;+3/p-2/b2*14-10+;;