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

Systemtic Name: (2S)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: (2S)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2S)-2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2S)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2S)-2-[[1-(4-bromophenyl)imidazol-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=CN3C4=CC=C(C=C4)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=CN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3OS/c1-15(20(26)24-12-10-16-4-2-3-5-17(16)14-24)27-21-23-11-13-25(21)19-8-6-18(22)7-9-19/h2-9,11,13,15H,10,12,14H2,1H3/t15-/m0/s1