2-[5-(azepan-1-yl)pyridin-3-yl]ethanethial

Systemtic Name: 2-[5-(azepan-1-yl)pyridin-3-yl]ethanethial Openeye Name: 2-[5-(azepan-1-yl)-3-pyridyl]ethanethial CAS Name: 2-[5-(1-azepanyl)-3-pyridinyl]ethanethial IUPAC Name: 2-[5-(azepan-1-yl)pyridin-3-yl]ethanethial Traditional Name: 2-[5-(azepan-1-yl)-3-pyridyl]thioacetaldehyde Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN=CC(=C2)CC=S

Isomeric SMILES

C1CCCN(CC1)C2=CN=CC(=C2)CC=S

InChI

InChI=1S/C13H18N2S/c16-8-5-12-9-13(11-14-10-12)15-6-3-1-2-4-7-15/h8-11H,1-7H2