5-methyl-4-nitro-3-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1,2-oxazole

Systemtic Name: 5-methyl-4-nitro-3-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1,2-oxazole Openeye Name: 5-methyl-4-nitro-3-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]vinyl]isoxazole CAS Name: 5-methyl-4-nitro-3-[(E)-2-[4-(trifluoromethylthio)phenyl]ethenyl]isoxazole IUPAC Name: 5-methyl-4-nitro-3-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1,2-oxazole Traditional Name: 5-methyl-4-nitro-3-[(E)-2-[4-(trifluoromethylthio)phenyl]vinyl]isoxazole Formula: C13H9F3N2O3S MolecularWeight: 330.28237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C=CC2=CC=C(C=C2)SC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)/C=C/C2=CC=C(C=C2)SC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H9F3N2O3S/c1-8-12(18(19)20)11(17-21-8)7-4-9-2-5-10(6-3-9)22-13(14,15)16/h2-7H,1H3/b7-4+