1-(azepan-1-yl)-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-(2-pyridylthio)ethanone Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C13H18N2OS/c16-13(15-9-5-1-2-6-10-15)11-17-12-7-3-4-8-14-12/h3-4,7-8H,1-2,5-6,9-11H2