2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)N3[C@H](CC(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C22H21N3OS2/c26-22(15-24-10-9-16-5-1-2-6-17(16)14-24)25-19(21-8-4-12-28-21)13-18(23-25)20-7-3-11-27-20/h1-8,11-12,19H,9-10,13-15H2/t19-/m1/s1