S-[5-(trifluoromethyl)pyridin-2-yl] 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate

Systemtic Name: S-[5-(trifluoromethyl)pyridin-2-yl] 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-[5-(trifluoromethyl)-2-pyridyl] 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate CAS Name: 2-ethyl-5-methyl-4-nitro-3-pyrazolecarbothioic acid S-[5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: S-[5-(trifluoromethyl)pyridin-2-yl] 2-ethyl-5-methyl-4-nitropyrazole-3-carbothioate Traditional Name: 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioic acid S-[5-(trifluoromethyl)-2-pyridyl] ester Formula: C13H11F3N4O3S MolecularWeight: 360.31165

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N4O3S/c1-3-19-11(10(20(22)23)7(2)18-19)12(21)24-9-5-4-8(6-17-9)13(14,15)16/h4-6H,3H2,1-2H3