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

Systemtic Name: 5-cyclopropyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(2-nitro-4-triflyl-phenyl)thio]-1H-1,2,4-triazole Formula: C12H9F3N4O4S2 MolecularWeight: 394.34947

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=NN2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9F3N4O4S2/c13-12(14,15)25(22,23)7-3-4-9(8(5-7)19(20)21)24-11-16-10(17-18-11)6-1-2-6/h3-6H,1-2H2,(H,16,17,18)