azepan-1-yl-[2-(phenylmethylsulfanyl)pyridin-3-yl]methanone

Systemtic Name: azepan-1-yl-[2-(phenylmethylsulfanyl)pyridin-3-yl]methanone Openeye Name: azepan-1-yl-(2-benzylsulfanyl-3-pyridyl)methanone CAS Name: 1-azepanyl-[2-(phenylmethylthio)-3-pyridinyl]methanone IUPAC Name: azepan-1-yl-(2-benzylsulfanylpyridin-3-yl)methanone Traditional Name: azepan-1-yl-[2-(benzylthio)-3-pyridyl]methanone Formula: C19H22N2OS MolecularWeight: 326.45578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2OS/c22-19(21-13-6-1-2-7-14-21)17-11-8-12-20-18(17)23-15-16-9-4-3-5-10-16/h3-5,8-12H,1-2,6-7,13-15H2