[(E)-3-azanyl-1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-cyano-but-2-enylidene]-phenyl-azanium chloride

Systemtic Name: [(E)-3-azanyl-1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-cyano-but-2-enylidene]-phenyl-azanium chloride Openeye Name: [(E)-3-amino-1-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-2-cyano-but-2-enylidene]-phenyl-ammonium chloride CAS Name: [(E)-3-amino-1-[[2-(4-bromophenyl)-2-oxoethyl]thio]-2-cyanobut-2-enylidene]-phenylammonium chloride IUPAC Name: [(E)-3-amino-1-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-2-cyanobut-2-enylidene]-phenylazanium chloride Traditional Name: [(E)-3-amino-1-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-2-cyano-but-2-enylidene]-phenyl-ammonium chloride Formula: C19H17BrClN3OS MolecularWeight: 450.77978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=[NH+]C1=CC=CC=C1)SCC(=O)C2=CC=C(C=C2)Br)N.[Cl-]

Isomeric SMILES

C/C(=C(/C#N)\C(=[NH+]C1=CC=CC=C1)SCC(=O)C2=CC=C(C=C2)Br)/N.[Cl-]

InChI

InChI=1S/C19H16BrN3OS.ClH/c1-13(22)17(11-21)19(23-16-5-3-2-4-6-16)25-12-18(24)14-7-9-15(20)10-8-14;/h2-10H,12,22H2,1H3;1H/b17-13+,23-19?;