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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20Cl2F2N2OS2/c27-21-8-4-10-23(29)19(21)15-34-26(35-16-20-22(28)9-5-11-24(20)30)18(14-31)25(33)32-13-12-17-6-2-1-3-7-17/h1-11H,12-13,15-16H2,(H,32,33)