2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C22H22BrN3O3S/c1-28-19-9-15-7-8-26(12-16(15)10-20(19)29-2)21(27)13-30-22-24-11-18(25-22)14-3-5-17(23)6-4-14/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,24,25)