1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,3,5,6-tetramethylphenyl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,3,5,6-tetramethylphenyl)thio]ethanone Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)N2CCC3=CC=CC=C3C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)N2CCC3=CC=CC=C3C2)C)C

InChI

InChI=1S/C21H25NOS/c1-14-11-15(2)17(4)21(16(14)3)24-13-20(23)22-10-9-18-7-5-6-8-19(18)12-22/h5-8,11H,9-10,12-13H2,1-4H3