N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-[[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C16H19F3N6O3S MolecularWeight: 432.42067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C)C(F)(F)F

InChI

InChI=1S/C16H19F3N6O3S/c1-15(2,3)10-7-11(16(17,18)19)22-14(21-10)29-6-5-20-13(26)12-9(25(27)28)8-24(4)23-12/h7-8H,5-6H2,1-4H3,(H,20,26)