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

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(methylthio)-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(methylthio)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C16H24N2OS MolecularWeight: 292.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H24N2OS/c1-12-7-9-18(11-16(2,3)10-12)15(19)13-6-5-8-17-14(13)20-4/h5-6,8,12H,7,9-11H2,1-4H3