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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NNC(=N3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NNC(=N3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S/c22-15-8-10-16(11-9-15)28-12-19-24-21(26-25-19)29-13-20(27)23-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,23,27)(H,24,25,26)