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

Systemtic Name: (1E,3E)-5-(cyanomethylsulfanyl)-1-ethoxy-4-(4-methylpyridin-1-ium-1-yl)-5-sulfanylidene-penta-1,3-dien-1-olate Openeye Name: (1E,3E)-5-(cyanomethylsulfanyl)-1-ethoxy-4-(4-methylpyridin-1-ium-1-yl)-5-thioxo-penta-1,3-dien-1-olate CAS Name: (1E,3E)-5-(cyanomethylthio)-1-ethoxy-4-(4-methyl-1-pyridin-1-iumyl)-5-sulfanylidene-1-penta-1,3-dienolate IUPAC Name: (1E,3E)-5-(cyanomethylsulfanyl)-1-ethoxy-4-(4-methylpyridin-1-ium-1-yl)-5-sulfanylidenepenta-1,3-dien-1-olate Traditional Name: (1E,3E)-5-(cyanomethylthio)-1-ethoxy-4-(4-methylpyridin-1-ium-1-yl)-5-thioxo-penta-1,3-dien-1-olate Formula: C15H16N2O2S2 MolecularWeight: 320.42974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2S2/c1-3-19-14(18)5-4-13(15(20)21-11-8-16)17-9-6-12(2)7-10-17/h4-7,9-10H,3,11H2,1-2H3