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

Systemtic Name: 5-ethyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(2-nitro-4-triflyl-phenyl)thio]-1H-1,2,4-triazole Formula: C11H9F3N4O4S2 MolecularWeight: 382.33877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H9F3N4O4S2/c1-2-9-15-10(17-16-9)23-8-4-3-6(5-7(8)18(19)20)24(21,22)11(12,13)14/h3-5H,2H2,1H3,(H,15,16,17)