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

Systemtic Name: iron(3+); (NE,1Z)-N-(1-pyrazin-2-ylethylidene)piperidine-1-carbohydrazonothioate; hexafluorophosphate Openeye Name: ferric (NE,1Z)-N-(1-pyrazin-2-ylethylidene)piperidine-1-carbohydrazonothioate hexafluorophosphate CAS Name: iron(3+); (NE,1Z)-N-[1-(2-pyrazinyl)ethylidene]-1-piperidinecarbohydrazonothioate; hexafluorophosphate IUPAC Name: iron(3+); (NE,1Z)-N-(1-pyrazin-2-ylethylidene)piperidine-1-carbohydrazonothioate; hexafluorophosphate Traditional Name: ferric (NE,1Z)-N-(1-pyrazin-2-ylethylidene)piperidine-1-carbohydrazonothioate hexafluorophosphate Formula: C24H32F6FeN10PS2 MolecularWeight: 725.51706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N1CCCCC1)[S-])C2=NC=CN=C2.CC(=NN=C(N1CCCCC1)[S-])C2=NC=CN=C2.F[P-](F)(F)(F)(F)F.[Fe+3]

Isomeric SMILES

C/C(=N\N=C(/[S-])\N1CCCCC1)/C2=NC=CN=C2.C/C(=N\N=C(/[S-])\N1CCCCC1)/C2=NC=CN=C2.F[P-](F)(F)(F)(F)F.[Fe+3]

InChI

InChI=1S/2C12H17N5S.F6P.Fe/c2*1-10(11-9-13-5-6-14-11)15-16-12(18)17-7-3-2-4-8-17;1-7(2,3,4,5)6;/h2*5-6,9H,2-4,7-8H2,1H3,(H,16,18);;/q;;-1;+3/p-2/b2*15-10+;;