(E)-2-(3-phenacylimidazol-3-ium-1-yl)-1-phenyl-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one bromide

Systemtic Name: (E)-2-(3-phenacylimidazol-3-ium-1-yl)-1-phenyl-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one bromide Openeye Name: (E)-3-anilino-2-(3-phenacylimidazol-3-ium-1-yl)-1-phenyl-3-sulfanyl-prop-2-en-1-one bromide CAS Name: (E)-3-anilino-3-mercapto-2-(3-phenacyl-1-imidazol-3-iumyl)-1-phenyl-2-propen-1-one bromide IUPAC Name: (E)-3-anilino-2-(3-phenacylimidazol-3-ium-1-yl)-1-phenyl-3-sulfanylprop-2-en-1-one bromide Traditional Name: (E)-3-anilino-3-mercapto-2-(3-phenacylimidazol-3-ium-1-yl)-1-phenyl-prop-2-en-1-one bromide Formula: C26H22BrN3O2S MolecularWeight: 520.44078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)C(=C(NC3=CC=CC=C3)S)C(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)/C(=C(\NC3=CC=CC=C3)/S)/C(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H21N3O2S.BrH/c30-23(20-10-4-1-5-11-20)18-28-16-17-29(19-28)24(25(31)21-12-6-2-7-13-21)26(32)27-22-14-8-3-9-15-22;/h1-17,19H,18H2,(H-,27,31,32);1H