2-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-pyrazolyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-methylpyrazol-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazol-1-yl]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine Formula: C29H25F3N4O4S MolecularWeight: 582.59341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC(=C(C=C2)OC)OC)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=C(N(N=C1C2=CC(=C(C=C2)OC)OC)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H25F3N4O4S/c1-16-26(17-8-10-20(37-2)22(13-17)39-4)35-36(27(16)18-9-11-21(38-3)23(14-18)40-5)28-33-19(24-7-6-12-41-24)15-25(34-28)29(30,31)32/h6-15H,1-5H3