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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide Formula: C22H17BrN4O2S MolecularWeight: 481.36498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C22H17BrN4O2S/c23-19-9-5-4-8-18(19)21-25-22(27-26-21)30-14-20(28)24-15-10-12-17(13-11-15)29-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,28)(H,25,26,27)