2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H23BrN4OS MolecularWeight: 471.41322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

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