(Z)-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-3-(phenylmethylsulfanyl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-3-(phenylmethylsulfanyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-benzylsulfanyl-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-ethoxy-2-(4-methyl-1-pyridin-1-iumyl)-3-(phenylmethylthio)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-3-benzylsulfanyl-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(benzylthio)-1-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C18H19NO2S2 MolecularWeight: 345.47896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S2/c1-3-21-17(20)16(19-11-9-14(2)10-12-19)18(22)23-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3