(E)-2-cyano-2-(4-methylpyridin-1-ium-1-yl)-1-(phenylmethylsulfanyl)ethenethiolate

Systemtic Name: (E)-2-cyano-2-(4-methylpyridin-1-ium-1-yl)-1-(phenylmethylsulfanyl)ethenethiolate Openeye Name: (E)-1-benzylsulfanyl-2-cyano-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate CAS Name: (E)-2-cyano-2-(4-methyl-1-pyridin-1-iumyl)-1-(phenylmethylthio)ethenethiolate IUPAC Name: (E)-1-benzylsulfanyl-2-cyano-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate Traditional Name: (E)-1-(benzylthio)-2-cyano-2-(4-methylpyridin-1-ium-1-yl)ethenethiolate Formula: C16H14N2S2 MolecularWeight: 298.42576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=C([S-])SCC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=CC=[N+](C=C1)/C(=C(\[S-])/SCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C16H14N2S2/c1-13-7-9-18(10-8-13)15(11-17)16(19)20-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3/b16-15+