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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C15H18BrN5OS MolecularWeight: 396.30532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C15H18BrN5OS/c16-12-7-3-2-6-11(12)14-18-19-15(21(14)17)23-10-13(22)20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-10,17H2