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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H19BrN4OS/c1-11-6-8-21(9-7-11)14(22)10-23-16-18-15(19-20-16)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3,(H,18,19,20)