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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18Cl2F2N2OS2/c1-15-5-2-6-16(11-15)31-24(32)17(12-30)25(33-13-18-20(26)7-3-9-22(18)28)34-14-19-21(27)8-4-10-23(19)29/h2-11H,13-14H2,1H3,(H,31,32)