(E)-N-(4-bromophenyl)-2-cyano-3-methylsulfanyl-3-phenacylsulfanyl-prop-2-enamide

Systemtic Name: (E)-N-(4-bromophenyl)-2-cyano-3-methylsulfanyl-3-phenacylsulfanyl-prop-2-enamide Openeye Name: (E)-N-(4-bromophenyl)-2-cyano-3-methylsulfanyl-3-phenacylsulfanyl-prop-2-enamide CAS Name: (E)-N-(4-bromophenyl)-2-cyano-3-(methylthio)-3-(phenacylthio)-2-propenamide IUPAC Name: (E)-N-(4-bromophenyl)-2-cyano-3-methylsulfanyl-3-phenacylsulfanylprop-2-enamide Traditional Name: (E)-N-(4-bromophenyl)-2-cyano-3-(methylthio)-3-(phenacylthio)acrylamide Formula: C19H15BrN2O2S2 MolecularWeight: 447.3686

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)NC1=CC=C(C=C1)Br)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CS/C(=C(/C#N)\C(=O)NC1=CC=C(C=C1)Br)/SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H15BrN2O2S2/c1-25-19(26-12-17(23)13-5-3-2-4-6-13)16(11-21)18(24)22-15-9-7-14(20)8-10-15/h2-10H,12H2,1H3,(H,22,24)/b19-16+