2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-[(3-fluorophenyl)amino]methylidene]propanedinitrile

Systemtic Name: 2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-[(3-fluorophenyl)amino]methylidene]propanedinitrile Openeye Name: 2-[[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-(3-fluoroanilino)methylene]propanedinitrile CAS Name: 2-[[[2-(4-bromophenyl)-2-oxoethyl]thio]-(3-fluoroanilino)methylidene]propanedinitrile IUPAC Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-(3-fluoroanilino)methylidene]propanedinitrile Traditional Name: 2-[[[2-(4-bromophenyl)-2-keto-ethyl]thio]-(3-fluoroanilino)methylene]malononitrile Formula: C18H11BrFN3OS MolecularWeight: 416.266843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=C(C#N)C#N)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=C(C#N)C#N)SCC(=O)C2=CC=C(C=C2)Br

InChI

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