3,3-bis[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide

Systemtic Name: 3,3-bis[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide Openeye Name: 3,3-bis[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide CAS Name: 3,3-bis[(2-chloro-6-fluorophenyl)methylthio]-2-cyano-N-(2-ethylphenyl)-2-propenamide IUPAC Name: 3,3-bis[(2-chloro-6-fluorophenyl)methylsulfanyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide Traditional Name: 3,3-bis[(2-chloro-6-fluoro-benzyl)thio]-2-cyano-N-(2-ethylphenyl)acrylamide Formula: C26H20Cl2F2N2OS2 MolecularWeight: 549.482606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=C(SCC2=C(C=CC=C2Cl)F)SCC3=C(C=CC=C3Cl)F)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(=C(SCC2=C(C=CC=C2Cl)F)SCC3=C(C=CC=C3Cl)F)C#N

InChI

InChI=1S/C26H20Cl2F2N2OS2/c1-2-16-7-3-4-12-24(16)32-25(33)17(13-31)26(34-14-18-20(27)8-5-10-22(18)29)35-15-19-21(28)9-6-11-23(19)30/h3-12H,2,14-15H2,1H3,(H,32,33)