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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C22H33BrN4O2S MolecularWeight: 497.49202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NCCC)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NCCC)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H33BrN4O2S/c1-3-5-6-7-8-9-15-27-20(16-29-19-12-10-18(23)11-13-19)25-26-22(27)30-17-21(28)24-14-4-2/h10-13H,3-9,14-17H2,1-2H3,(H,24,28)