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

Systemtic Name: sodium (E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-1-phenacylsulfanyl-prop-1-ene-1-thiolate Openeye Name: sodium (E)-2-cyano-3-(4-methoxyanilino)-3-oxo-1-phenacylsulfanyl-prop-1-ene-1-thiolate CAS Name: sodium (E)-2-cyano-3-(4-methoxyanilino)-3-oxo-1-(phenacylthio)-1-propene-1-thiolate IUPAC Name: sodium (E)-2-cyano-3-(4-methoxyanilino)-3-oxo-1-phenacylsulfanylprop-1-ene-1-thiolate Traditional Name: sodium (E)-2-cyano-3-keto-3-(p-anisidino)-1-(phenacylthio)prop-1-ene-1-thiolate Formula: C19H15N2NaO3S2 MolecularWeight: 406.45377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=C([S-])SCC(=O)C2=CC=CC=C2)C#N.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C(\[S-])/SCC(=O)C2=CC=CC=C2)/C#N.[Na+]

InChI

InChI=1S/C19H16N2O3S2.Na/c1-24-15-9-7-14(8-10-15)21-18(23)16(11-20)19(25)26-12-17(22)13-5-3-2-4-6-13;/h2-10,25H,12H2,1H3,(H,21,23);/q;+1/p-1/b19-16+;