N-[3-[4-(4-fluorophenyl)-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(4-fluorophenyl)-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(4-fluorophenyl)-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(4-fluorophenyl)-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(4-fluorophenyl)-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(4-fluorophenyl)-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide Formula: C21H20FN5O4S MolecularWeight: 457.478003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN5O4S/c1-14(28)23-11-3-6-20-24-25-21(26(20)17-9-7-16(22)8-10-17)32-13-19(29)15-4-2-5-18(12-15)27(30)31/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,23,28)