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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

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