2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-o-cumenyl-acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)C3=CC=CC=C3Br

InChI

InChI=1S/C21H23BrN4OS/c1-4-26-20(16-10-5-7-11-17(16)22)24-25-21(26)28-13-19(27)23-18-12-8-6-9-15(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)