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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]propan-1-one Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3OS/c1-15(20(26)24-11-9-16-5-2-3-6-17(16)14-24)27-21-23-10-12-25(21)19-8-4-7-18(22)13-19/h2-8,10,12-13,15H,9,11,14H2,1H3