3-(4-fluorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(4-fluorophenyl)sulfanyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C16H15FN2O4S MolecularWeight: 350.364703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1F)SCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H15FN2O4S/c17-12-1-4-14(5-2-12)24-8-7-16(21)18-10-11-9-13(19(22)23)3-6-15(11)20/h1-6,9,20H,7-8,10H2,(H,18,21)