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

Systemtic Name: (2-propylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: (2-propylsulfanyl-3-pyridyl)-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(propylthio)-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: (2-propylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(propylthio)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCC(CC(C2)(C)C)C

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCC(CC(C2)(C)C)C

InChI

InChI=1S/C18H28N2OS/c1-5-11-22-16-15(7-6-9-19-16)17(21)20-10-8-14(2)12-18(3,4)13-20/h6-7,9,14H,5,8,10-13H2,1-4H3