2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-phenanthren-2-yl-ethanone bromide

Systemtic Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-phenanthren-2-yl-ethanone bromide Openeye Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-(2-phenanthryl)ethanone bromide CAS Name: 2-[(2,6-dimethyl-4-pyryliumyl)thio]-1-(2-phenanthrenyl)ethanone bromide IUPAC Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-phenanthren-2-ylethanone bromide Traditional Name: 2-[(2,6-dimethylpyrylium-4-yl)thio]-1-(2-phenanthryl)ethanone bromide Formula: C23H19BrO2S MolecularWeight: 439.36476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C23H19O2S.BrH/c1-15-11-20(12-16(2)25-15)26-14-23(24)19-9-10-22-18(13-19)8-7-17-5-3-4-6-21(17)22;/h3-13H,14H2,1-2H3;1H/q+1;/p-1