S-(pyridin-2-ylmethyl) 7-azidoheptanethioate

Systemtic Name: S-(pyridin-2-ylmethyl) 7-azidoheptanethioate Openeye Name: S-(2-pyridylmethyl) 7-azidoheptanethioate CAS Name: 7-azidoheptanethioic acid S-(2-pyridinylmethyl) ester IUPAC Name: S-(pyridin-2-ylmethyl) 7-azidoheptanethioate Traditional Name: 7-azidoheptanethioic acid S-(2-pyridylmethyl) ester Formula: C13H18N4OS MolecularWeight: 278.37322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC(=O)CCCCCCN=[N+]=[N-]

Isomeric SMILES

C1=CC=NC(=C1)CSC(=O)CCCCCCN=[N+]=[N-]

InChI

InChI=1S/C13H18N4OS/c14-17-16-10-5-2-1-3-8-13(18)19-11-12-7-4-6-9-15-12/h4,6-7,9H,1-3,5,8,10-11H2