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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NNC(=N2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NNC(=N2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-14(2)25(16-6-4-3-5-7-16)19(26)13-28-20-22-18(23-24-20)12-27-17-10-8-15(21)9-11-17/h3-11,14H,12-13H2,1-2H3,(H,22,23,24)