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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H27BrN4O2S MolecularWeight: 455.41228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrN4O2S/c1-2-3-4-5-6-7-12-24-18(22-23-19(24)27-14-17(21)25)13-26-16-10-8-15(20)9-11-16/h8-11H,2-7,12-14H2,1H3,(H2,21,25)