3-(3-bromophenyl)-5-[2-nitro-5-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(3-bromophenyl)-5-[2-nitro-5-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-bromophenyl)-5-[2-nitro-5-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(3-bromophenyl)-5-[[2-nitro-5-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-bromophenyl)-5-[2-nitro-5-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-bromophenyl)-5-[[2-nitro-5-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazole Formula: C21H12BrF3N4O2S MolecularWeight: 521.30979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=CC(=C3)C(F)(F)F)[N+](=O)[O-])C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=CC(=C3)C(F)(F)F)[N+](=O)[O-])C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H12BrF3N4O2S/c22-15-6-4-5-13(11-15)19-26-27-20(28(19)16-7-2-1-3-8-16)32-18-12-14(21(23,24)25)9-10-17(18)29(30)31/h1-12H