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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4O2S/c1-2-24-17(12-26-16-10-8-14(20)9-11-16)22-23-19(24)27-13-18(25)21-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,21,25)