N-[2-[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[5-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[5-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[5-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[5-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H20BrFN4O3S MolecularWeight: 507.375903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(=O)NCCC1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H20BrFN4O3S/c1-13(28)24-10-9-20-25-26-21(27(20)16-6-4-15(23)5-7-16)31-12-18(29)14-3-8-19(30-2)17(22)11-14/h3-8,11H,9-10,12H2,1-2H3,(H,24,28)