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

Systemtic Name: (1Z,3Z)-1-ethoxy-5-methylsulfanyl-4-pyridin-1-ium-1-yl-5-sulfanylidene-penta-1,3-dien-1-olate Openeye Name: (1Z,3Z)-1-ethoxy-5-methylsulfanyl-4-pyridin-1-ium-1-yl-5-thioxo-penta-1,3-dien-1-olate CAS Name: (1Z,3Z)-1-ethoxy-5-(methylthio)-4-(1-pyridin-1-iumyl)-5-sulfanylidene-1-penta-1,3-dienolate IUPAC Name: (1Z,3Z)-1-ethoxy-5-methylsulfanyl-4-pyridin-1-ium-1-yl-5-sulfanylidenepenta-1,3-dien-1-olate Traditional Name: (1Z,3Z)-1-ethoxy-5-(methylthio)-4-pyridin-1-ium-1-yl-5-thioxo-penta-1,3-dien-1-olate Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S2/c1-3-16-12(15)8-7-11(13(17)18-2)14-9-5-4-6-10-14/h4-10H,3H2,1-2H3