(E)-1-ethoxy-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-ethoxy-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-ethoxy-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-ethoxy-3-(methylthio)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-ethoxy-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-ethoxy-3-(methylthio)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2S2/c1-3-14-10(13)9(11(15)16-2)12-7-5-4-6-8-12/h4-8H,3H2,1-2H3