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

Systemtic Name: 4-ethyl-3-(furan-2-yl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-furyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 4-ethyl-3-(2-furanyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(furan-2-yl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-furyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C15H11F3N4O3S MolecularWeight: 384.33305

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C15H11F3N4O3S/c1-2-21-13(11-4-3-7-25-11)19-20-14(21)26-12-6-5-9(15(16,17)18)8-10(12)22(23)24/h3-8H,2H2,1H3