(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-propan-1-one Formula: C16H19BrN4OS MolecularWeight: 395.31726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H19BrN4OS/c1-11(15(22)21-9-5-2-6-10-21)23-16-18-14(19-20-16)12-7-3-4-8-13(12)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20)/t11-/m1/s1