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

Systemtic Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole Formula: C13H13F3N4O2S MolecularWeight: 346.32813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N4O2S/c1-12(2,3)10-17-11(19-18-10)23-9-5-4-7(13(14,15)16)6-8(9)20(21)22/h4-6H,1-3H3,(H,17,18,19)