3-chloranyl-4-[(5-fluoranyl-2-nitro-phenyl)methylsulfanyl]aniline

Systemtic Name: 3-chloranyl-4-[(5-fluoranyl-2-nitro-phenyl)methylsulfanyl]aniline Openeye Name: 3-chloro-4-[(5-fluoro-2-nitro-phenyl)methylsulfanyl]aniline CAS Name: 3-chloro-4-[(5-fluoro-2-nitrophenyl)methylthio]aniline IUPAC Name: 3-chloro-4-[(5-fluoro-2-nitrophenyl)methylsulfanyl]aniline Traditional Name: [3-chloro-4-[(5-fluoro-2-nitro-benzyl)thio]phenyl]amine Formula: C13H10ClFN2O2S MolecularWeight: 312.747103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)Cl)SCC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)Cl)SCC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClFN2O2S/c14-11-6-10(16)2-4-13(11)20-7-8-5-9(15)1-3-12(8)17(18)19/h1-6H,7,16H2