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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutan-2-yl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-dimethylpropyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutan-2-yl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(1,2-dimethylpropyl)acetamide Formula: C21H29BrN4OS MolecularWeight: 465.45016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H29BrN4OS/c1-14(2)15(3)23-19(27)13-28-21-25-24-20(16-9-11-17(22)12-10-16)26(21)18-7-5-4-6-8-18/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,23,27)