2-[(4-bromanyl-3-nitro-phenyl)methylidene]-4H-[1,3]thiazolo[3,2-a]benzimidazol-9-ium-1-one

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)methylidene]-4H-[1,3]thiazolo[3,2-a]benzimidazol-9-ium-1-one Openeye Name: 2-[(4-bromo-3-nitro-phenyl)methylene]-4H-thiazolo[3,2-a]benzimidazol-9-ium-1-one CAS Name: 2-[(4-bromo-3-nitrophenyl)methylidene]-4H-thiazolo[3,2-a]benzimidazol-9-ium-1-one IUPAC Name: 2-[(4-bromo-3-nitrophenyl)methylidene]-4H-[1,3]thiazolo[3,2-a]benzimidazol-9-ium-1-one Traditional Name: 2-(4-bromo-3-nitro-benzylidene)-4H-thiazolo[3,2-a]benzimidazol-9-ium-1-one Formula: C16H9BrN3O3S+ MolecularWeight: 403.22996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=[N+]2C(=O)C(=CC4=CC(=C(C=C4)Br)[N+](=O)[O-])S3

Isomeric SMILES

C1=CC=C2C(=C1)NC3=[N+]2C(=O)C(=CC4=CC(=C(C=C4)Br)[N+](=O)[O-])S3

InChI

InChI=1S/C16H8BrN3O3S/c17-10-6-5-9(7-13(10)20(22)23)8-14-15(21)19-12-4-2-1-3-11(12)18-16(19)24-14/h1-8H/p+1