sodium (Z)-2-cyano-1-[(4-methylphenyl)amino]-3-phenacylsulfanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: sodium (Z)-2-cyano-1-[(4-methylphenyl)amino]-3-phenacylsulfanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: sodium (Z)-2-cyano-1-(4-methylanilino)-3-phenacylsulfanyl-3-thioxo-prop-1-en-1-olate CAS Name: sodium (Z)-2-cyano-1-(4-methylanilino)-3-(phenacylthio)-3-sulfanylidene-1-propen-1-olate IUPAC Name: sodium (Z)-2-cyano-1-(4-methylanilino)-3-phenacylsulfanyl-3-sulfanylideneprop-1-en-1-olate Traditional Name: sodium (Z)-2-cyano-3-(phenacylthio)-1-(p-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C19H15N2NaO2S2 MolecularWeight: 390.45437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C#N)C(=S)SCC(=O)C2=CC=CC=C2)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N/C(=C(\C#N)/C(=S)SCC(=O)C2=CC=CC=C2)/[O-].[Na+]

InChI

InChI=1S/C19H16N2O2S2.Na/c1-13-7-9-15(10-8-13)21-18(23)16(11-20)19(24)25-12-17(22)14-5-3-2-4-6-14;/h2-10,21,23H,12H2,1H3;/q;+1/p-1/b18-16-;