N-[[2-(4-bromanyl-2-nitro-phenyl)sulfanylphenyl]methyl]-2-fluoranyl-N-methyl-ethanamine

Systemtic Name: N-[[2-(4-bromanyl-2-nitro-phenyl)sulfanylphenyl]methyl]-2-fluoranyl-N-methyl-ethanamine Openeye Name: N-[[2-(4-bromo-2-nitro-phenyl)sulfanylphenyl]methyl]-2-fluoro-N-methyl-ethanamine CAS Name: N-[[2-[(4-bromo-2-nitrophenyl)thio]phenyl]methyl]-2-fluoro-N-methylethanamine IUPAC Name: N-[[2-(4-bromo-2-nitrophenyl)sulfanylphenyl]methyl]-2-fluoro-N-methylethanamine Traditional Name: [2-[(4-bromo-2-nitro-phenyl)thio]benzyl]-(2-fluoroethyl)-methyl-amine Formula: C16H16BrFN2O2S MolecularWeight: 399.277843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCF)CC1=CC=CC=C1SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CN(CCF)CC1=CC=CC=C1SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H16BrFN2O2S/c1-19(9-8-18)11-12-4-2-3-5-15(12)23-16-7-6-13(17)10-14(16)20(21)22/h2-7,10H,8-9,11H2,1H3