3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-pentylsulfanylpyridin-3-yl)methanone

Systemtic Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-pentylsulfanylpyridin-3-yl)methanone Openeye Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-pentylsulfanyl-3-pyridyl)methanone CAS Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(pentylthio)-3-pyridinyl]methanone IUPAC Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-pentylsulfanylpyridin-3-yl)methanone Traditional Name: 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(amylthio)-3-pyridyl]methanone Formula: C20H30N2OS MolecularWeight: 346.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)N2CCCC3C2CCCC3

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N2CCCC3C2CCCC3

InChI

InChI=1S/C20H30N2OS/c1-2-3-6-15-24-19-17(11-7-13-21-19)20(23)22-14-8-10-16-9-4-5-12-18(16)22/h7,11,13,16,18H,2-6,8-10,12,14-15H2,1H3