2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C16H14BrFN2O3S MolecularWeight: 413.261363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrFN2O3S/c1-9-6-15(10(2)5-12(9)17)24-8-16(21)19-11-3-4-13(18)14(7-11)20(22)23/h3-7H,8H2,1-2H3,(H,19,21)