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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN5OS/c16-12-6-4-5-11(9-12)14-18-19-15(21(14)17)23-10-13(22)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8,10,17H2