[2-(4-methylphenyl)sulfanylpyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [2-(4-methylphenyl)sulfanylpyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [2-(p-tolylsulfanyl)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-[(4-methylphenyl)thio]-3-pyridinyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [2-(4-methylphenyl)sulfanylpyridin-3-yl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(p-tolylthio)-3-pyridyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2OS/c1-16-7-9-18(10-8-16)26-20-19(6-5-12-23-20)21(25)24-13-11-17(2)14-22(3,4)15-24/h5-10,12,17H,11,13-15H2,1-4H3