sodium (E)-3-(benzenecarbonothioylimino)-2-cyano-1-methoxy-3-methylsulfanyl-prop-1-en-1-olate

Systemtic Name: sodium (E)-3-(benzenecarbonothioylimino)-2-cyano-1-methoxy-3-methylsulfanyl-prop-1-en-1-olate Openeye Name: sodium (E)-3-(benzenecarbonothioylimino)-2-cyano-1-methoxy-3-methylsulfanyl-prop-1-en-1-olate CAS Name: sodium (E)-3-(benzenecarbonothioylimino)-2-cyano-1-methoxy-3-(methylthio)-1-propen-1-olate IUPAC Name: sodium (E)-3-(benzenecarbonothioylimino)-2-cyano-1-methoxy-3-methylsulfanylprop-1-en-1-olate Traditional Name: sodium (E)-3-(benzenecarbonothioylimino)-2-cyano-1-methoxy-3-(methylthio)prop-1-en-1-olate Formula: C13H11N2NaO2S2 MolecularWeight: 314.35841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C#N)C(=NC(=S)C1=CC=CC=C1)SC)[O-].[Na+]

Isomeric SMILES

CO/C(=C(\C#N)/C(=NC(=S)C1=CC=CC=C1)SC)/[O-].[Na+]

InChI

InChI=1S/C13H12N2O2S2.Na/c1-17-13(16)10(8-14)12(19-2)15-11(18)9-6-4-3-5-7-9;/h3-7,16H,1-2H3;/q;+1/p-1/b13-10+,15-12?;