(Z)-1-ethoxy-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-ethoxy-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-1-ethoxy-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-ethoxy-3-(ethylthio)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-ethoxy-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-1-ethoxy-3-(ethylthio)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C12H15NO2S2 MolecularWeight: 269.383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S2/c1-3-15-11(14)10(12(16)17-4-2)13-8-6-5-7-9-13/h5-9H,3-4H2,1-2H3