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

Systemtic Name: (E)-2-cyano-N-(4-methylphenyl)-3-methylsulfanyl-3-phenacylsulfanyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-methylsulfanyl-3-phenacylsulfanyl-N-(p-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4-methylphenyl)-3-(methylthio)-3-(phenacylthio)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4-methylphenyl)-3-methylsulfanyl-3-phenacylsulfanylprop-2-enamide Traditional Name: (E)-2-cyano-3-(methylthio)-3-(phenacylthio)-N-(p-tolyl)acrylamide Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=C(SC)SCC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)/C(=C(\SC)/SCC(=O)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C20H18N2O2S2/c1-14-8-10-16(11-9-14)22-19(24)17(12-21)20(25-2)26-13-18(23)15-6-4-3-5-7-15/h3-11H,13H2,1-2H3,(H,22,24)/b20-17+