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

Systemtic Name: 5-(2-nitrophenyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(2-nitrophenyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-(2-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-(2-nitrophenyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-(2-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole Formula: C15H8F3N5O4S MolecularWeight: 411.31533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H8F3N5O4S/c16-15(17,18)8-5-6-12(11(7-8)23(26)27)28-14-19-13(20-21-14)9-3-1-2-4-10(9)22(24)25/h1-7H,(H,19,20,21)