5-tert-butyl-3-[5-methylsulfanyl-2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one

Systemtic Name: 5-tert-butyl-3-[5-methylsulfanyl-2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Openeye Name: 5-tert-butyl-3-[5-methylsulfanyl-2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one CAS Name: 5-tert-butyl-3-[5-(methylthio)-2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 5-tert-butyl-3-[5-methylsulfanyl-2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Traditional Name: 5-tert-butyl-3-[5-(methylthio)-2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Formula: C14H14F3N3O4S MolecularWeight: 377.33887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C(=C2)SC)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C(=C2)SC)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N3O4S/c1-13(2,3)11-18-19(12(21)24-11)8-6-10(25-4)7(14(15,16)17)5-9(8)20(22)23/h5-6H,1-4H3