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

Systemtic Name: (Z)-1-ethoxy-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-benzylsulfanyl-1-ethoxy-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-ethoxy-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-3-benzylsulfanyl-1-ethoxy-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(benzylthio)-1-ethoxy-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C17H17NO2S2 MolecularWeight: 331.45238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=S)SCC1=CC=CC=C1)[N+]2=CC=CC=C2)[O-]

Isomeric SMILES

CCO/C(=C(/C(=S)SCC1=CC=CC=C1)\[N+]2=CC=CC=C2)/[O-]

InChI

InChI=1S/C17H17NO2S2/c1-2-20-16(19)15(18-11-7-4-8-12-18)17(21)22-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3