4-bromanyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[2-[(2-fluorobenzyl)thio]ethyl]-3-nitro-benzamide Formula: C16H14BrFN2O3S MolecularWeight: 413.261363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])F

InChI

InChI=1S/C16H14BrFN2O3S/c17-13-6-5-11(9-15(13)20(22)23)16(21)19-7-8-24-10-12-3-1-2-4-14(12)18/h1-6,9H,7-8,10H2,(H,19,21)