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

Systemtic Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazol-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazol-1-yl]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1-pyrazolyl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethylpyrazol-1-yl]-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-[3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazol-1-yl]-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine Formula: C30H27F3N4O4S MolecularWeight: 596.61999

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C30H27F3N4O4S/c1-6-19-27(17-9-11-21(38-2)23(14-17)40-4)36-37(28(19)18-10-12-22(39-3)24(15-18)41-5)29-34-20(25-8-7-13-42-25)16-26(35-29)30(31,32)33/h7-16H,6H2,1-5H3