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

Systemtic Name: [[(3-chloranyl-4-fluoranyl-phenyl)amino]-(phenylmethylsulfanyl)methylidene]-phenyl-azanium bromide Openeye Name: [benzylsulfanyl-(3-chloro-4-fluoro-anilino)methylene]-phenyl-ammonium bromide CAS Name: [(3-chloro-4-fluoroanilino)-(phenylmethylthio)methylidene]-phenylammonium bromide IUPAC Name: [benzylsulfanyl-(3-chloro-4-fluoroanilino)methylidene]-phenylazanium bromide Traditional Name: [(benzylthio)-(3-chloro-4-fluoro-anilino)methylene]-phenyl-ammonium bromide Formula: C20H17BrClFN2S MolecularWeight: 451.782783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=[NH+]C2=CC=CC=C2)NC3=CC(=C(C=C3)F)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CSC(=[NH+]C2=CC=CC=C2)NC3=CC(=C(C=C3)F)Cl.[Br-]

InChI

InChI=1S/C20H16ClFN2S.BrH/c21-18-13-17(11-12-19(18)22)24-20(23-16-9-5-2-6-10-16)25-14-15-7-3-1-4-8-15;/h1-13H,14H2,(H,23,24);1H