N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H25ClF2N4O2S MolecularWeight: 494.985006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)COC3=CC=CC=C3F

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)COC3=CC=CC=C3F

InChI

InChI=1S/C23H25ClF2N4O2S/c1-2-3-4-7-12-30-21(14-32-20-9-6-5-8-19(20)26)28-29-23(30)33-15-22(31)27-16-10-11-18(25)17(24)13-16/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3,(H,27,31)