(E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-[4-(methylthio)phenyl]acrylamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C21H20ClN3O2S/c1-28-18-5-2-15(3-6-18)12-16(14-23)21(26)24-19-13-17(22)4-7-20(19)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,26)/b16-12+