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

Systemtic Name: 2-(2-methylphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-(2-methylphenyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methylphenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C16H10F3N3O3S MolecularWeight: 381.32911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3N3O3S/c1-9-4-2-3-5-11(9)14-20-21-15(25-14)26-13-7-6-10(16(17,18)19)8-12(13)22(23)24/h2-8H,1H3