3,3-bis[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide

Systemtic Name: 3,3-bis[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide Openeye Name: 3,3-bis[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide CAS Name: 3,3-bis[(2-chloro-6-fluorophenyl)methylthio]-2-cyano-N-(2,5-dimethylphenyl)-2-propenamide IUPAC Name: 3,3-bis[(2-chloro-6-fluorophenyl)methylsulfanyl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide Traditional Name: 3,3-bis[(2-chloro-6-fluoro-benzyl)thio]-2-cyano-N-(2,5-dimethylphenyl)acrylamide Formula: C26H20Cl2F2N2OS2 MolecularWeight: 549.482606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(=C(SCC2=C(C=CC=C2Cl)F)SCC3=C(C=CC=C3Cl)F)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(=C(SCC2=C(C=CC=C2Cl)F)SCC3=C(C=CC=C3Cl)F)C#N

InChI

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