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

Systemtic Name: 2-[[4-azanyl-5-[(3-bromanylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-amino-5-[(3-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H20BrN5O2S MolecularWeight: 426.3313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2N)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H20BrN5O2S/c17-12-5-4-6-13(9-12)24-10-14-19-20-16(22(14)18)25-11-15(23)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8,10-11,18H2