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

Systemtic Name: 3,3-bis[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3,3-bis[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-2-cyano-prop-2-enamide CAS Name: 3,3-bis[(2-chloro-6-fluorophenyl)methylthio]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3,3-bis[(2-chloro-6-fluorophenyl)methylsulfanyl]-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3,3-bis[(2-chloro-6-fluoro-benzyl)thio]-2-cyano-acrylamide Formula: C25H18Cl2F2N2OS2 MolecularWeight: 535.456026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18Cl2F2N2OS2/c26-20-8-4-10-22(28)18(20)14-33-25(34-15-19-21(27)9-5-11-23(19)29)17(12-30)24(32)31-13-16-6-2-1-3-7-16/h1-11H,13-15H2,(H,31,32)