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

Systemtic Name: sodium (E)-2-cyano-3-oxidanylidene-1-phenacylsulfanyl-3-phenylazanyl-prop-1-ene-1-thiolate Openeye Name: sodium (E)-3-anilino-2-cyano-3-oxo-1-phenacylsulfanyl-prop-1-ene-1-thiolate CAS Name: sodium (E)-3-anilino-2-cyano-3-oxo-1-(phenacylthio)-1-propene-1-thiolate IUPAC Name: sodium (E)-3-anilino-2-cyano-3-oxo-1-phenacylsulfanylprop-1-ene-1-thiolate Traditional Name: sodium (E)-3-anilino-2-cyano-3-keto-1-(phenacylthio)prop-1-ene-1-thiolate Formula: C18H13N2NaO2S2 MolecularWeight: 376.42779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC(=C(C#N)C(=O)NC2=CC=CC=C2)[S-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CS/C(=C(\C#N)/C(=O)NC2=CC=CC=C2)/[S-].[Na+]

InChI

InChI=1S/C18H14N2O2S2.Na/c19-11-15(17(22)20-14-9-5-2-6-10-14)18(23)24-12-16(21)13-7-3-1-4-8-13;/h1-10,23H,12H2,(H,20,22);/q;+1/p-1/b18-15+;