2-(4-tert-butylphenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NOS/c1-21(2,3)18-8-10-19(11-9-18)24-15-20(23)22-13-12-16-6-4-5-7-17(16)14-22/h4-11H,12-15H2,1-3H3