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

Systemtic Name: 5-cyclopentyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-cyclopentyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-cyclopentyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopentyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-cyclopentyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole Formula: C14H13F3N4O2S MolecularWeight: 358.33883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13F3N4O2S/c15-14(16,17)9-5-6-11(10(7-9)21(22)23)24-13-18-12(19-20-13)8-3-1-2-4-8/h5-8H,1-4H2,(H,18,19,20)