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

Systemtic Name: (E)-2-cyano-1-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-pyridin-1-ium-1-yl-ethenethiolate Openeye Name: (E)-2-cyano-1-(3-ethoxy-3-oxo-propyl)sulfanyl-2-pyridin-1-ium-1-yl-ethenethiolate CAS Name: (E)-2-cyano-1-[(3-ethoxy-3-oxopropyl)thio]-2-(1-pyridin-1-iumyl)ethenethiolate IUPAC Name: (E)-2-cyano-1-(3-ethoxy-3-oxopropyl)sulfanyl-2-pyridin-1-ium-1-ylethenethiolate Traditional Name: (E)-2-cyano-1-[(3-ethoxy-3-keto-propyl)thio]-2-pyridin-1-ium-1-yl-ethenethiolate Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S2/c1-2-17-12(16)6-9-19-13(18)11(10-14)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9H2,1H3/b13-11+