N'-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate; iron

Systemtic Name: N'-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate; iron Openeye Name: N'-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate; iron CAS Name: N'-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamimidothioate; iron IUPAC Name: N'-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate; iron Traditional Name: N'-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamimidothioate; iron Formula: C16H14Cl2FeN6O2S2-2 MolecularWeight: 513.20236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNN=C(N)[S-])C=C1Cl.C1=CC(=O)C(=CNN=C(N)[S-])C=C1Cl.[Fe]

Isomeric SMILES

C1=CC(=O)C(=CNN=C(N)[S-])C=C1Cl.C1=CC(=O)C(=CNN=C(N)[S-])C=C1Cl.[Fe]

InChI

InChI=1S/2C8H8ClN3OS.Fe/c2*9-6-1-2-7(13)5(3-6)4-11-12-8(10)14;/h2*1-4,11H,(H3,10,12,14);/p-2