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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4O2S/c1-2-26-19(14-28-18-10-8-17(22)9-11-18)24-25-21(26)29-15-20(27)23-13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,23,27)