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

Systemtic Name: 2-cyano-3,3-bis[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)prop-2-enamide Openeye Name: 2-cyano-3,3-bis[(4-fluorophenyl)methylsulfanyl]-N-(m-tolyl)prop-2-enamide CAS Name: 2-cyano-3,3-bis[(4-fluorophenyl)methylthio]-N-(3-methylphenyl)-2-propenamide IUPAC Name: 2-cyano-3,3-bis[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)prop-2-enamide Traditional Name: 2-cyano-3,3-bis[(4-fluorobenzyl)thio]-N-(m-tolyl)acrylamide Formula: C25H20F2N2OS2 MolecularWeight: 466.565906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=C(SCC2=CC=C(C=C2)F)SCC3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=C(SCC2=CC=C(C=C2)F)SCC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C25H20F2N2OS2/c1-17-3-2-4-22(13-17)29-24(30)23(14-28)25(31-15-18-5-9-20(26)10-6-18)32-16-19-7-11-21(27)12-8-19/h2-13H,15-16H2,1H3,(H,29,30)