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

Systemtic Name: (E)-N-(4-bromophenyl)-2-cyano-3-phenacylsulfanyl-3-sulfanyl-prop-2-enamide Openeye Name: (E)-N-(4-bromophenyl)-2-cyano-3-phenacylsulfanyl-3-sulfanyl-prop-2-enamide CAS Name: (E)-N-(4-bromophenyl)-2-cyano-3-mercapto-3-(phenacylthio)-2-propenamide IUPAC Name: (E)-N-(4-bromophenyl)-2-cyano-3-phenacylsulfanyl-3-sulfanylprop-2-enamide Traditional Name: (E)-N-(4-bromophenyl)-2-cyano-3-mercapto-3-(phenacylthio)acrylamide Formula: C18H13BrN2O2S2 MolecularWeight: 433.34202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC(=C(C#N)C(=O)NC2=CC=C(C=C2)Br)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CS/C(=C(\C#N)/C(=O)NC2=CC=C(C=C2)Br)/S

InChI

InChI=1S/C18H13BrN2O2S2/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/h1-9,24H,11H2,(H,21,23)/b18-15+