2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C19H20BrNOS MolecularWeight: 390.3372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H20BrNOS/c1-13-10-18(14(2)9-17(13)20)23-12-19(22)21-8-7-15-5-3-4-6-16(15)11-21/h3-6,9-10H,7-8,11-12H2,1-2H3