1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 1-[4-(5-methyl-2-thiophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylate IUPAC Name: 1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Formula: C14H8F3N4O2S- MolecularWeight: 353.29913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H9F3N4O2S/c1-7-2-3-10(24-7)9-6-11(14(15,16)17)19-13(18-9)21-5-4-8(20-21)12(22)23/h2-6H,1H3,(H,22,23)/p-1