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

Systemtic Name: sodium (Z)-1-[(4-bromophenyl)amino]-2-cyano-3-phenacylsulfanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: sodium (Z)-1-(4-bromoanilino)-2-cyano-3-phenacylsulfanyl-3-thioxo-prop-1-en-1-olate CAS Name: sodium (Z)-1-(4-bromoanilino)-2-cyano-3-(phenacylthio)-3-sulfanylidene-1-propen-1-olate IUPAC Name: sodium (Z)-1-(4-bromoanilino)-2-cyano-3-phenacylsulfanyl-3-sulfanylideneprop-1-en-1-olate Traditional Name: sodium (Z)-1-(4-bromoanilino)-2-cyano-3-(phenacylthio)-3-thioxo-prop-1-en-1-olate Formula: C18H12BrN2NaO2S2 MolecularWeight: 455.32385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC(=S)/C(=C(/NC2=CC=C(C=C2)Br)\[O-])/C#N.[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;/h1-9,21,23H,11H2;/q;+1/p-1/b17-15-;