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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C19H25BrN4OS MolecularWeight: 437.397

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H25BrN4OS/c1-24-18(14-8-7-9-15(20)12-14)22-23-19(24)26-13-17(25)21-16-10-5-3-2-4-6-11-16/h7-9,12,16H,2-6,10-11,13H2,1H3,(H,21,25)