2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)-1-phenyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)-1-phenyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1-phenyl-N-(p-tolyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-N-(4-methylphenyl)-1-phenyl-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)-1-phenylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1-phenyl-N-(p-tolyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C29H23BrN3O2S+ MolecularWeight: 557.48082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H22BrN3O2S/c1-20-10-16-23(17-11-20)31-28(35)27-29(36-19-25(34)21-12-14-22(30)15-13-21)33(24-7-3-2-4-8-24)26-9-5-6-18-32(26)27/h2-18H,19H2,1H3/p+1