3,3-bis[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Systemtic Name: 3,3-bis[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide Openeye Name: 2-cyano-3,3-bis[(2,5-difluorophenyl)methylsulfanyl]-N-(4-fluorophenyl)prop-2-enamide CAS Name: 2-cyano-3,3-bis[(2,5-difluorophenyl)methylthio]-N-(4-fluorophenyl)-2-propenamide IUPAC Name: 2-cyano-3,3-bis[(2,5-difluorophenyl)methylsulfanyl]-N-(4-fluorophenyl)prop-2-enamide Traditional Name: 2-cyano-3,3-bis[(2,5-difluorobenzyl)thio]-N-(4-fluorophenyl)acrylamide Formula: C24H15F5N2OS2 MolecularWeight: 506.510716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=C(SCC2=C(C=CC(=C2)F)F)SCC3=C(C=CC(=C3)F)F)C#N)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(=C(SCC2=C(C=CC(=C2)F)F)SCC3=C(C=CC(=C3)F)F)C#N)F

InChI

InChI=1S/C24H15F5N2OS2/c25-16-1-5-19(6-2-16)31-23(32)20(11-30)24(33-12-14-9-17(26)3-7-21(14)28)34-13-15-10-18(27)4-8-22(15)29/h1-10H,12-13H2,(H,31,32)