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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C22H23BrN4OS/c23-19-13-7-6-12-18(19)21-25-26-22(27(21)14-16-8-2-1-3-9-16)29-15-20(28)24-17-10-4-5-11-17/h1-3,6-9,12-13,17H,4-5,10-11,14-15H2,(H,24,28)