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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methyl-2-imidazolyl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-methylimidazol-2-yl)thio]propan-1-one Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=CN3C

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=CN3C

InChI

InChI=1S/C16H19N3OS/c1-12(21-16-17-8-10-18(16)2)15(20)19-9-7-13-5-3-4-6-14(13)11-19/h3-6,8,10,12H,7,9,11H2,1-2H3