2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C14H14FN3O4S MolecularWeight: 339.342063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14FN3O4S/c1-8-11(9(2)22-17-8)6-23-7-14(19)16-10-3-4-12(15)13(5-10)18(20)21/h3-5H,6-7H2,1-2H3,(H,16,19)