N-[3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]propyl]acetamide Formula: C20H18F3N5O3S MolecularWeight: 465.44883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F3N5O3S/c1-13(29)24-11-5-8-18-25-26-19(27(18)15-6-3-2-4-7-15)32-17-10-9-14(20(21,22)23)12-16(17)28(30)31/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,24,29)