2-(methylsulfanylmethyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(methylsulfanylmethyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(methylsulfanylmethyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-[(methylthio)methyl]-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(methylsulfanylmethyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[(methylthio)methyl]-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-oxadiazole Formula: C11H8F3N3O3S2 MolecularWeight: 351.32473

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NN=C(O1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSCC1=NN=C(O1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H8F3N3O3S2/c1-21-5-9-15-16-10(20-9)22-8-3-2-6(11(12,13)14)4-7(8)17(18)19/h2-4H,5H2,1H3