ethyl (E)-3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)acrylic acid ethyl ester Formula: C13H12BrNO2S2 MolecularWeight: 358.27388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SC)SC1=CC=C(C=C1)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\SC)/SC1=CC=C(C=C1)Br)/C#N

InChI

InChI=1S/C13H12BrNO2S2/c1-3-17-12(16)11(8-15)13(18-2)19-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3/b13-11+