sodium (E)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-1-phenacylsulfanyl-prop-1-ene-1-thiolate

Systemtic Name: sodium (E)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-1-phenacylsulfanyl-prop-1-ene-1-thiolate Openeye Name: sodium (E)-3-(4-bromoanilino)-2-cyano-3-oxo-1-phenacylsulfanyl-prop-1-ene-1-thiolate CAS Name: sodium (E)-3-(4-bromoanilino)-2-cyano-3-oxo-1-(phenacylthio)-1-propene-1-thiolate IUPAC Name: sodium (E)-3-(4-bromoanilino)-2-cyano-3-oxo-1-phenacylsulfanylprop-1-ene-1-thiolate Traditional Name: sodium (E)-3-(4-bromoanilino)-2-cyano-3-keto-1-(phenacylthio)prop-1-ene-1-thiolate Formula: C18H12BrN2NaO2S2 MolecularWeight: 455.32385

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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=C(C=C2)Br)[S-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O2S2.Na/c19-13-6-8-14(9-7-13)21-17(23)15(10-20)18(24)25-11-16(22)12-4-2-1-3-5-12;/h1-9,24H,11H2,(H,21,23);/q;+1/p-1/b18-15+;