2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C25H31BrN4O2S MolecularWeight: 531.50824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H31BrN4O2S/c1-2-3-4-5-6-10-17-30-23(18-32-22-15-13-20(26)14-16-22)28-29-25(30)33-19-24(31)27-21-11-8-7-9-12-21/h7-9,11-16H,2-6,10,17-19H2,1H3,(H,27,31)