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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C22H23BrN4OS/c23-19-14-8-7-13-18(19)21-25-26-22(27(21)17-11-5-2-6-12-17)29-15-20(28)24-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,24,28)