2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-[(4-fluorophenyl)amino]methylidene]propanedinitrile

Systemtic Name: 2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-[(4-fluorophenyl)amino]methylidene]propanedinitrile Openeye Name: 2-[[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-(4-fluoroanilino)methylene]propanedinitrile CAS Name: 2-[[[2-(4-bromophenyl)-2-oxoethyl]thio]-(4-fluoroanilino)methylidene]propanedinitrile IUPAC Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-(4-fluoroanilino)methylidene]propanedinitrile Traditional Name: 2-[[[2-(4-bromophenyl)-2-keto-ethyl]thio]-(4-fluoroanilino)methylene]malononitrile Formula: C18H11BrFN3OS MolecularWeight: 416.266843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F)Br

InChI

InChI=1S/C18H11BrFN3OS/c19-14-3-1-12(2-4-14)17(24)11-25-18(13(9-21)10-22)23-16-7-5-15(20)6-8-16/h1-8,23H,11H2