4,5-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3-oxazole

Systemtic Name: 4,5-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3-oxazole Openeye Name: 4,5-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-oxazole CAS Name: 4,5-dimethyl-2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]oxazole IUPAC Name: 4,5-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3-oxazole Traditional Name: 4,5-dimethyl-2-[(2-nitro-4-triflyl-phenyl)thio]oxazole Formula: C12H9F3N2O5S2 MolecularWeight: 382.33547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C12H9F3N2O5S2/c1-6-7(2)22-11(16-6)23-10-4-3-8(5-9(10)17(18)19)24(20,21)12(13,14)15/h3-5H,1-2H3