2-[5-(1,4-diazepan-1-yl)pyridin-2-yl]oxyethanethial

Systemtic Name: 2-[5-(1,4-diazepan-1-yl)pyridin-2-yl]oxyethanethial Openeye Name: 2-[[5-(1,4-diazepan-1-yl)-2-pyridyl]oxy]ethanethial CAS Name: 2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]oxy]ethanethial IUPAC Name: 2-[5-(1,4-diazepan-1-yl)pyridin-2-yl]oxyethanethial Traditional Name: 2-[[5-(1,4-diazepan-1-yl)-2-pyridyl]oxy]thioacetaldehyde Formula: C12H17N3OS MolecularWeight: 251.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CN=C(C=C2)OCC=S

Isomeric SMILES

C1CNCCN(C1)C2=CN=C(C=C2)OCC=S

InChI

InChI=1S/C12H17N3OS/c17-9-8-16-12-3-2-11(10-14-12)15-6-1-4-13-5-7-15/h2-3,9-10,13H,1,4-8H2