[[(3-chloranyl-4-fluoranyl-phenyl)amino]-(phenylmethylsulfanyl)methylidene]-methyl-azanium bromide

Systemtic Name: [[(3-chloranyl-4-fluoranyl-phenyl)amino]-(phenylmethylsulfanyl)methylidene]-methyl-azanium bromide Openeye Name: [benzylsulfanyl-(3-chloro-4-fluoro-anilino)methylene]-methyl-ammonium bromide CAS Name: [(3-chloro-4-fluoroanilino)-(phenylmethylthio)methylidene]-methylammonium bromide IUPAC Name: [benzylsulfanyl-(3-chloro-4-fluoroanilino)methylidene]-methylazanium bromide Traditional Name: [(benzylthio)-(3-chloro-4-fluoro-anilino)methylene]-methyl-ammonium bromide Formula: C15H15BrClFN2S MolecularWeight: 389.713403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]=C(NC1=CC(=C(C=C1)F)Cl)SCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[NH+]=C(NC1=CC(=C(C=C1)F)Cl)SCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H14ClFN2S.BrH/c1-18-15(20-10-11-5-3-2-4-6-11)19-12-7-8-14(17)13(16)9-12;/h2-9H,10H2,1H3,(H,18,19);1H