(2-pentylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: (2-pentylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: (2-pentylsulfanyl-3-pyridyl)-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(pentylthio)-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: (2-pentylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(amylthio)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C20H32N2OS MolecularWeight: 348.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)N2CCC(CC(C2)(C)C)C

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N2CCC(CC(C2)(C)C)C

InChI

InChI=1S/C20H32N2OS/c1-5-6-7-13-24-18-17(9-8-11-21-18)19(23)22-12-10-16(2)14-20(3,4)15-22/h8-9,11,16H,5-7,10,12-15H2,1-4H3