2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H23BrN4O2S MolecularWeight: 535.45542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H23BrN4O2S/c1-18(32)20-9-13-23(14-10-20)28-24(33)17-34-26-30-29-25(21-7-11-22(27)12-8-21)31(26)16-15-19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,28,33)