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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C15H17BrN4OS/c16-12-7-3-2-6-11(12)14-17-15(19-18-14)22-10-13(21)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-10H2,(H,17,18,19)