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

Systemtic Name: N,N-dimethyl-N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate; iron(3+); hexafluorophosphate Openeye Name: ferric N,N-dimethyl-N'-[(E)-2-pyridylmethyleneamino]carbamimidothioate hexafluorophosphate CAS Name: N,N-dimethyl-N'-[(E)-2-pyridinylmethylideneamino]carbamimidothioate; iron(3+); hexafluorophosphate IUPAC Name: N,N-dimethyl-N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate; iron(3+); hexafluorophosphate Traditional Name: ferric N,N-dimethyl-N'-[(E)-2-pyridylmethyleneamino]carbamimidothioate hexafluorophosphate Formula: C18H22F6FeN8PS2 MolecularWeight: 615.36006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NN=CC1=CC=CC=N1)[S-].CN(C)C(=NN=CC1=CC=CC=N1)[S-].F[P-](F)(F)(F)(F)F.[Fe+3]

Isomeric SMILES

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

InChI

InChI=1S/2C9H12N4S.F6P.Fe/c2*1-13(2)9(14)12-11-7-8-5-3-4-6-10-8;1-7(2,3,4,5)6;/h2*3-7H,1-2H3,(H,12,14);;/q;;-1;+3/p-2/b2*11-7+;;