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

Systemtic Name: N-[2-[5-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[5-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[5-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[5-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[5-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C22H20BrF3N4O3S MolecularWeight: 557.38341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrF3N4O3S/c1-13(31)27-9-8-20-28-29-21(30(20)16-5-3-4-15(11-16)22(24,25)26)34-12-18(32)14-6-7-19(33-2)17(23)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,27,31)