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

Systemtic Name: (E)-1-phenyl-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one bromide Openeye Name: (E)-3-anilino-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one bromide CAS Name: (E)-3-anilino-3-mercapto-1-phenyl-2-(1-pyridin-1-iumyl)-2-propen-1-one bromide IUPAC Name: (E)-3-anilino-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one bromide Traditional Name: (E)-3-anilino-3-mercapto-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one bromide Formula: C20H17BrN2OS MolecularWeight: 413.33078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C(/NC2=CC=CC=C2)\S)/[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H16N2OS.BrH/c23-19(16-10-4-1-5-11-16)18(22-14-8-3-9-15-22)20(24)21-17-12-6-2-7-13-17;/h1-15H,(H-,21,23,24);1H