ethyl 5-methyl-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C16H13F3N4O2S MolecularWeight: 382.36023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C

InChI

InChI=1S/C16H13F3N4O2S/c1-3-25-14(24)10-8-20-23(9(10)2)15-21-11(12-5-4-6-26-12)7-13(22-15)16(17,18)19/h4-8H,3H2,1-2H3