N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-3-nitro-benzamide Formula: C16H14ClFN2O3S MolecularWeight: 368.810363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H14ClFN2O3S/c17-14-5-2-6-15(18)13(14)10-24-8-7-19-16(21)11-3-1-4-12(9-11)20(22)23/h1-6,9H,7-8,10H2,(H,19,21)