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

Systemtic Name: S-[5-(trifluoromethyl)pyridin-2-yl] 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-[5-(trifluoromethyl)-2-pyridyl] 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate CAS Name: 2,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-[5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: S-[5-(trifluoromethyl)pyridin-2-yl] 2,5-dimethyl-4-nitropyrazole-3-carbothioate Traditional Name: 2,5-dimethyl-4-nitro-pyrazole-3-carbothioic acid S-[5-(trifluoromethyl)-2-pyridyl] ester Formula: C12H9F3N4O3S MolecularWeight: 346.28507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)SC2=NC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)SC2=NC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C12H9F3N4O3S/c1-6-9(19(21)22)10(18(2)17-6)11(20)23-8-4-3-7(5-16-8)12(13,14)15/h3-5H,1-2H3