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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)acetamide Formula: C21H28BrN5O2S MolecularWeight: 494.44832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN5O2S/c1-21(2,3)24-19(29)23-17(28)13-30-20-26-25-18(14-9-11-15(22)12-10-14)27(20)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H2,23,24,28,29)