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

Systemtic Name: 5-methyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-methyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-methyl-3-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-methyl-3-[(2-nitro-4-triflyl-phenyl)thio]-1H-1,2,4-triazole Formula: C10H7F3N4O4S2 MolecularWeight: 368.31219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H7F3N4O4S2/c1-5-14-9(16-15-5)22-8-3-2-6(4-7(8)17(18)19)23(20,21)10(11,12)13/h2-4H,1H3,(H,14,15,16)