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

Systemtic Name: (E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-ethenethiolate Openeye Name: (E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-ethoxy-3-oxo-propyl)sulfanyl-ethenethiolate CAS Name: (E)-2-cyano-2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-[(3-ethoxy-3-oxopropyl)thio]ethenethiolate IUPAC Name: (E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-ethoxy-3-oxopropyl)sulfanylethenethiolate Traditional Name: (E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-[(3-ethoxy-3-keto-propyl)thio]ethenethiolate Formula: C15H18N2O2S2 MolecularWeight: 322.44562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S2/c1-4-19-14(18)5-6-21-15(20)13(8-16)17-9-11(2)7-12(3)10-17/h7,9-10H,4-6H2,1-3H3/b15-13+