[2-(phenylmethylsulfanyl)pyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [2-(phenylmethylsulfanyl)pyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: (2-benzylsulfanyl-3-pyridyl)-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(phenylmethylthio)-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: (2-benzylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(benzylthio)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C22H28N2OS MolecularWeight: 368.53552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-17-11-13-24(16-22(2,3)14-17)21(25)19-10-7-12-23-20(19)26-15-18-8-5-4-6-9-18/h4-10,12,17H,11,13-16H2,1-3H3