oxidanylidenevanadium(2+); (2E)-N-pyridin-4-ylcarbonylfuran-2-carbohydrazonothioate

Systemtic Name: oxidanylidenevanadium(2+); (2E)-N-pyridin-4-ylcarbonylfuran-2-carbohydrazonothioate Openeye Name: oxovanadium(2+); (2E)-N-(pyridine-4-carbonyl)furan-2-carbohydrazonothioate CAS Name: (2E)-N-[oxo(pyridin-4-yl)methyl]-2-furancarbohydrazonothioate; oxovanadium(2+) IUPAC Name: oxovanadium(2+); (2E)-N-(pyridine-4-carbonyl)furan-2-carbohydrazonothioate Traditional Name: (2E)-N-isonicotinoylfuran-2-carbohydrazonothioate; ketovanadium(2+) Formula: C22H16N6O5S2V MolecularWeight: 559.47114

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=NNC(=O)C2=CC=NC=C2)[S-].C1=COC(=C1)C(=NNC(=O)C2=CC=NC=C2)[S-].O=[V+2]

Isomeric SMILES

C1=COC(=C1)/C(=N\NC(=O)C2=CC=NC=C2)/[S-].C1=COC(=C1)/C(=N\NC(=O)C2=CC=NC=C2)/[S-].O=[V+2]

InChI

InChI=1S/2C11H9N3O2S.O.V/c2*15-10(8-3-5-12-6-4-8)13-14-11(17)9-2-1-7-16-9;;/h2*1-7H,(H,13,15)(H,14,17);;/q;;;+2/p-2