(5E)-2-azanyl-5-[(4-bromophenyl)methylidene]-1,3-thiazol-3-ium-4-one ethanoate

Systemtic Name: (5E)-2-azanyl-5-[(4-bromophenyl)methylidene]-1,3-thiazol-3-ium-4-one ethanoate Openeye Name: (5E)-2-amino-5-[(4-bromophenyl)methylene]thiazol-3-ium-4-one acetate CAS Name: (5E)-2-amino-5-[(4-bromophenyl)methylidene]-4-thiazol-3-iumone acetate IUPAC Name: (5E)-2-amino-5-[(4-bromophenyl)methylidene]-1,3-thiazol-3-ium-4-one acetate Traditional Name: (5E)-2-amino-5-(4-bromobenzylidene)-2-thiazolin-3-ium-4-one acetate Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC(=CC=C1C=C2C(=O)[NH+]=C(S2)N)Br

Isomeric SMILES

CC(=O)[O-].C1=CC(=CC=C1/C=C/2\C(=O)[NH+]=C(S2)N)Br

InChI

InChI=1S/C10H7BrN2OS.C2H4O2/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8;1-2(3)4/h1-5H,(H2,12,13,14);1H3,(H,3,4)/b8-5+;