sodium (E)-2-cyano-3-ethoxy-3-oxidanylidene-1-phenacylsulfanyl-prop-1-ene-1-thiolate

Systemtic Name: sodium (E)-2-cyano-3-ethoxy-3-oxidanylidene-1-phenacylsulfanyl-prop-1-ene-1-thiolate Openeye Name: sodium (E)-2-cyano-3-ethoxy-3-oxo-1-phenacylsulfanyl-prop-1-ene-1-thiolate CAS Name: sodium (E)-2-cyano-3-ethoxy-3-oxo-1-(phenacylthio)-1-propene-1-thiolate IUPAC Name: sodium (E)-2-cyano-3-ethoxy-3-oxo-1-phenacylsulfanylprop-1-ene-1-thiolate Traditional Name: sodium (E)-2-cyano-3-ethoxy-3-keto-1-(phenacylthio)prop-1-ene-1-thiolate Formula: C14H12NNaO3S2 MolecularWeight: 329.36975

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C([S-])SCC(=O)C1=CC=CC=C1)C#N.[Na+]

Isomeric SMILES

CCOC(=O)/C(=C(\[S-])/SCC(=O)C1=CC=CC=C1)/C#N.[Na+]

InChI

InChI=1S/C14H13NO3S2.Na/c1-2-18-13(17)11(8-15)14(19)20-9-12(16)10-6-4-3-5-7-10;/h3-7,19H,2,9H2,1H3;/q;+1/p-1/b14-11+;