2-[2-(4-chloranyl-5-fluoranyl-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[2-(4-chloranyl-5-fluoranyl-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-ethanamine Openeye Name: 2-[2-(4-chloro-5-fluoro-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-ethanamine CAS Name: 2-[2-[(4-chloro-5-fluoro-2-nitrophenyl)thio]phenyl]-N,N-dimethylethanamine IUPAC Name: 2-[2-(4-chloro-5-fluoro-2-nitrophenyl)sulfanylphenyl]-N,N-dimethylethanamine Traditional Name: 2-[2-[(4-chloro-5-fluoro-2-nitro-phenyl)thio]phenyl]ethyl-dimethyl-amine Formula: C16H16ClFN2O2S MolecularWeight: 354.826843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=CC=C1SC2=CC(=C(C=C2[N+](=O)[O-])Cl)F

Isomeric SMILES

CN(C)CCC1=CC=CC=C1SC2=CC(=C(C=C2[N+](=O)[O-])Cl)F

InChI

InChI=1S/C16H16ClFN2O2S/c1-19(2)8-7-11-5-3-4-6-15(11)23-16-10-13(18)12(17)9-14(16)20(21)22/h3-6,9-10H,7-8H2,1-2H3