3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H13F3N4O3S MolecularWeight: 458.41313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N4O3S/c22-21(23,24)14-8-11-18(17(12-14)28(29)30)31-16-9-6-13(7-10-16)19-25-26-20(32)27(19)15-4-2-1-3-5-15/h1-12H,(H,26,32)