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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H19BrN4OS MolecularWeight: 395.31726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN4OS/c1-20-15(12-5-7-13(17)8-6-12)18-19-16(20)23-11-14(22)21-9-3-2-4-10-21/h5-8H,2-4,9-11H2,1H3