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

Systemtic Name: (1E,3E)-5-(cyanomethylsulfanyl)-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-ethoxy-5-sulfanylidene-penta-1,3-dien-1-olate Openeye Name: (1E,3E)-5-(cyanomethylsulfanyl)-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-ethoxy-5-thioxo-penta-1,3-dien-1-olate CAS Name: (1E,3E)-5-(cyanomethylthio)-4-(3,5-dimethyl-1-pyridin-1-iumyl)-1-ethoxy-5-sulfanylidene-1-penta-1,3-dienolate IUPAC Name: (1E,3E)-5-(cyanomethylsulfanyl)-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-ethoxy-5-sulfanylidenepenta-1,3-dien-1-olate Traditional Name: (1E,3E)-5-(cyanomethylthio)-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-ethoxy-5-thioxo-penta-1,3-dien-1-olate Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S2/c1-4-20-15(19)6-5-14(16(21)22-8-7-17)18-10-12(2)9-13(3)11-18/h5-6,9-11H,4,8H2,1-3H3