1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,4,6-trimethylphenyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4,6-trimethylphenyl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(mesitylthio)ethanone Formula: C20H23NOS MolecularWeight: 325.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C20H23NOS/c1-14-10-15(2)20(16(3)11-14)23-13-19(22)21-9-8-17-6-4-5-7-18(17)12-21/h4-7,10-11H,8-9,12-13H2,1-3H3