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

Systemtic Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-phenyl-1H-1,2,4-triazole Formula: C15H9F3N4O2S MolecularWeight: 366.31777

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H9F3N4O2S/c16-15(17,18)10-6-7-12(11(8-10)22(23)24)25-14-19-13(20-21-14)9-4-2-1-3-5-9/h1-8H,(H,19,20,21)