(E)-2-cyano-3-(4-methylsulfanylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-methylsulfanylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-methylsulfanylphenyl)-N-(4-morpholinophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-(methylthio)phenyl]-N-[4-(4-morpholinyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-methylsulfanylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-(methylthio)phenyl]-N-(4-morpholinophenyl)acrylamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-27-20-8-2-16(3-9-20)14-17(15-22)21(25)23-18-4-6-19(7-5-18)24-10-12-26-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,25)/b17-14+