ethyl 1-[5-iodanyl-2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[5-iodanyl-2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[5-iodo-2-isopropylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[5-iodo-2-(propan-2-ylthio)-6-(trifluoromethyl)-4-pyrimidinyl]-3-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-iodo-2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[5-iodo-2-(isopropylthio)-6-(trifluoromethyl)pyrimidin-4-yl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H13F6IN4O2S MolecularWeight: 554.249209

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C(F)(F)F)C2=NC(=NC(=C2I)C(F)(F)F)SC(C)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C(F)(F)F)C2=NC(=NC(=C2I)C(F)(F)F)SC(C)C

InChI

InChI=1S/C15H13F6IN4O2S/c1-4-28-12(27)7-5-26(25-9(7)14(16,17)18)11-8(22)10(15(19,20)21)23-13(24-11)29-6(2)3/h5-6H,4H2,1-3H3