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

Systemtic Name: 5-ethyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole Formula: C11H9F3N4O2S MolecularWeight: 318.27497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3N4O2S/c1-2-9-15-10(17-16-9)21-8-4-3-6(11(12,13)14)5-7(8)18(19)20/h3-5H,2H2,1H3,(H,15,16,17)