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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-octyl-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C27H35BrN4O2S MolecularWeight: 559.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35BrN4O2S/c1-4-5-6-7-8-9-14-32-25(18-34-24-12-10-22(28)11-13-24)30-31-27(32)35-19-26(33)29-23-16-20(2)15-21(3)17-23/h10-13,15-17H,4-9,14,18-19H2,1-3H3,(H,29,33)