(1E,3E)-5-(cyanomethylsulfanyl)-1-ethoxy-4-pyridin-1-ium-1-yl-5-sulfanylidene-penta-1,3-dien-1-olate

Systemtic Name: (1E,3E)-5-(cyanomethylsulfanyl)-1-ethoxy-4-pyridin-1-ium-1-yl-5-sulfanylidene-penta-1,3-dien-1-olate Openeye Name: (1E,3E)-5-(cyanomethylsulfanyl)-1-ethoxy-4-pyridin-1-ium-1-yl-5-thioxo-penta-1,3-dien-1-olate CAS Name: (1E,3E)-5-(cyanomethylthio)-1-ethoxy-4-(1-pyridin-1-iumyl)-5-sulfanylidene-1-penta-1,3-dienolate IUPAC Name: (1E,3E)-5-(cyanomethylsulfanyl)-1-ethoxy-4-pyridin-1-ium-1-yl-5-sulfanylidenepenta-1,3-dien-1-olate Traditional Name: (1E,3E)-5-(cyanomethylthio)-1-ethoxy-4-pyridin-1-ium-1-yl-5-thioxo-penta-1,3-dien-1-olate Formula: C14H14N2O2S2 MolecularWeight: 306.40316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC=C(C(=S)SCC#N)[N+]1=CC=CC=C1)[O-]

Isomeric SMILES

CCO/C(=C/C=C(\C(=S)SCC#N)/[N+]1=CC=CC=C1)/[O-]

InChI

InChI=1S/C14H14N2O2S2/c1-2-18-13(17)7-6-12(14(19)20-11-8-15)16-9-4-3-5-10-16/h3-7,9-10H,2,11H2,1H3