(E)-1-(4-bromophenyl)-3-(4-fluoranyl-3-nitro-phenyl)-2-(4-methylphenyl)sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-(4-fluoranyl-3-nitro-phenyl)-2-(4-methylphenyl)sulfanyl-prop-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-(4-fluoro-3-nitro-phenyl)-2-(p-tolylsulfanyl)prop-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-(4-fluoro-3-nitrophenyl)-2-[(4-methylphenyl)thio]-2-propen-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylprop-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-(4-fluoro-3-nitro-phenyl)-2-(p-tolylthio)prop-2-en-1-one Formula: C22H15BrFNO3S MolecularWeight: 472.326803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=CC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C/C2=CC(=C(C=C2)F)[N+](=O)[O-])/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H15BrFNO3S/c1-14-2-9-18(10-3-14)29-21(22(26)16-5-7-17(23)8-6-16)13-15-4-11-19(24)20(12-15)25(27)28/h2-13H,1H3/b21-13+