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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=CC=C3Br

InChI

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