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

Systemtic Name: S-[3-(trifluoromethyl)phenyl] 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-[3-(trifluoromethyl)phenyl] 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate CAS Name: 2,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-[3-(trifluoromethyl)phenyl] ester IUPAC Name: S-[3-(trifluoromethyl)phenyl] 2,5-dimethyl-4-nitropyrazole-3-carbothioate Traditional Name: 2,5-dimethyl-4-nitro-pyrazole-3-carbothioic acid S-[3-(trifluoromethyl)phenyl] ester Formula: C13H10F3N3O3S MolecularWeight: 345.29701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3N3O3S/c1-7-10(19(21)22)11(18(2)17-7)12(20)23-9-5-3-4-8(6-9)13(14,15)16/h3-6H,1-2H3