1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C28H26N4OS MolecularWeight: 466.59724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C

InChI

InChI=1S/C28H26N4OS/c1-18-19(2)29-28(30-20(18)3)34-17-27(33)32-26(22-10-5-4-6-11-22)16-25(31-32)24-14-13-21-9-7-8-12-23(21)15-24/h4-15,26H,16-17H2,1-3H3/t26-/m0/s1