2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C25H29BrN4OS MolecularWeight: 513.49296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C25H29BrN4OS/c1-3-18-9-7-8-17(2)23(18)27-22(31)16-32-25-29-28-24(19-12-14-20(26)15-13-19)30(25)21-10-5-4-6-11-21/h7-9,12-15,21H,3-6,10-11,16H2,1-2H3,(H,27,31)