1-[4-[[3-[3-(2-methylpyrimidin-4-yl)phenyl]pyrazol-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[3-[3-(2-methylpyrimidin-4-yl)phenyl]pyrazol-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[3-[3-(2-methylpyrimidin-4-yl)phenyl]pyrazol-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[3-[3-(2-methyl-4-pyrimidinyl)phenyl]-1-pyrazolyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[3-[3-(2-methylpyrimidin-4-yl)phenyl]pyrazol-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[3-[3-(2-methylpyrimidin-4-yl)phenyl]pyrazol-1-yl]methyl]-2-thienyl]ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NN(C=C3)CC4=CSC(=C4)C(=O)C

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NN(C=C3)CC4=CSC(=C4)C(=O)C

InChI

InChI=1S/C21H18N4OS/c1-14(26)21-10-16(13-27-21)12-25-9-7-20(24-25)18-5-3-4-17(11-18)19-6-8-22-15(2)23-19/h3-11,13H,12H2,1-2H3