(Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-ethenethiolate

Systemtic Name: (Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-ethenethiolate Openeye Name: (Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-ethoxy-2-oxo-ethyl)sulfanyl-ethenethiolate CAS Name: (Z)-2-cyano-2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-[(2-ethoxy-2-oxoethyl)thio]ethenethiolate IUPAC Name: (Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-ethoxy-2-oxoethyl)sulfanylethenethiolate Traditional Name: (Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-[(2-ethoxy-2-keto-ethyl)thio]ethenethiolate Formula: C14H16N2O2S2 MolecularWeight: 308.41904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CS/C(=C(/C#N)\[N+]1=CC(=CC(=C1)C)C)/[S-]

InChI

InChI=1S/C14H16N2O2S2/c1-4-18-13(17)9-20-14(19)12(6-15)16-7-10(2)5-11(3)8-16/h5,7-8H,4,9H2,1-3H3/b14-12-