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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-ethylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C21H31BrN4O2S MolecularWeight: 483.46544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31BrN4O2S/c1-3-5-6-7-8-9-14-26-19(15-28-18-12-10-17(22)11-13-18)24-25-21(26)29-16-20(27)23-4-2/h10-13H,3-9,14-16H2,1-2H3,(H,23,27)