(2S)-2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: (2S)-2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: (2S)-2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2S)-2-[(2-bromophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2S)-2-(2-bromophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2S)-2-[(2-bromophenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C18H18BrNOS MolecularWeight: 376.31062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=CC=C3Br

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrNOS/c1-13(22-17-9-5-4-8-16(17)19)18(21)20-11-10-14-6-2-3-7-15(14)12-20/h2-9,13H,10-12H2,1H3/t13-/m0/s1