(3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxidanylidene-naphthalen-1-olate

Systemtic Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-butyl-1-imidazol-3-iumyl)-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-brosylimino-2-(3-butylimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C23H20BrN3O4S MolecularWeight: 514.3916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

CCCC[N+]1=CN(C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C23H20BrN3O4S/c1-2-3-12-26-13-14-27(15-26)21-20(22(28)18-6-4-5-7-19(18)23(21)29)25-32(30,31)17-10-8-16(24)9-11-17/h4-11,13-15H,2-3,12H2,1H3