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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C23H21BrN4O2S MolecularWeight: 497.40744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN4O2S/c1-2-28-21(14-30-18-12-10-17(24)11-13-18)26-27-23(28)31-15-22(29)25-20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,25,29)