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

Systemtic Name: (2-ethylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: (2-ethylsulfanyl-3-pyridyl)-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(ethylthio)-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: (2-ethylsulfanylpyridin-3-yl)-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(ethylthio)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)N2CCC(CC(C2)(C)C)C

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N2CCC(CC(C2)(C)C)C

InChI

InChI=1S/C17H26N2OS/c1-5-21-15-14(7-6-9-18-15)16(20)19-10-8-13(2)11-17(3,4)12-19/h6-7,9,13H,5,8,10-12H2,1-4H3