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

Systemtic Name: 2-[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-1-pyrazolyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine Formula: C28H23F3N4O4S MolecularWeight: 568.56683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC)OC

InChI

InChI=1S/C28H23F3N4O4S/c1-36-21-9-7-16(12-23(21)38-3)18-14-20(17-8-10-22(37-2)24(13-17)39-4)35(34-18)27-32-19(25-6-5-11-40-25)15-26(33-27)28(29,30)31/h5-15H,1-4H3