(4Z)-2-azanyl-4-[(5-bromanylthiophen-2-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one

Systemtic Name: (4Z)-2-azanyl-4-[(5-bromanylthiophen-2-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Openeye Name: (4Z)-2-amino-4-[(5-bromo-2-thienyl)methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: (4Z)-2-amino-4-[(5-bromo-2-thiophenyl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one IUPAC Name: (4Z)-2-amino-4-[(5-bromothiophen-2-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: (5Z)-2-amino-5-[(5-bromo-2-thienyl)methylene]-1-methyl-2-imidazolin-1-ium-4-one Formula: C9H9BrN3OS+ MolecularWeight: 287.15626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC=C(S2)Br)N

Isomeric SMILES

C[N+]\1=C(NC(=O)/C1=C/C2=CC=C(S2)Br)N

InChI

InChI=1S/C9H8BrN3OS/c1-13-6(8(14)12-9(13)11)4-5-2-3-7(10)15-5/h2-4H,1H3,(H2,11,12,14)/p+1/b6-4-