(E)-2-cyano-1-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate

Systemtic Name: (E)-2-cyano-1-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate Openeye Name: (E)-2-cyano-1-(3-ethoxy-3-oxo-propyl)sulfanyl-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate CAS Name: (E)-2-cyano-1-[(3-ethoxy-3-oxopropyl)thio]-2-(4-methyl-1-pyridin-1-iumyl)ethenethiolate IUPAC Name: (E)-2-cyano-1-(3-ethoxy-3-oxopropyl)sulfanyl-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate Traditional Name: (E)-2-cyano-1-[(3-ethoxy-3-keto-propyl)thio]-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate Formula: C14H16N2O2S2 MolecularWeight: 308.41904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2S2/c1-3-18-13(17)6-9-20-14(19)12(10-15)16-7-4-11(2)5-8-16/h4-5,7-8H,3,6,9H2,1-2H3/b14-12+