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

Systemtic Name: 1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-ethanoylphenoxy)ethanone Openeye Name: 2-(4-acetylphenoxy)-1-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(4-acetylphenoxy)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(4-acetylphenoxy)-1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(4-acetylphenoxy)-1-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C21H18N2O3S2 MolecularWeight: 410.50922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(=O)N2[C@H](CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H18N2O3S2/c1-14(24)15-6-8-16(9-7-15)26-13-21(25)23-18(20-5-3-11-28-20)12-17(22-23)19-4-2-10-27-19/h2-11,18H,12-13H2,1H3/t18-/m1/s1