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

Systemtic Name: S-[4-(trifluoromethyl)phenyl] 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-[4-(trifluoromethyl)phenyl] 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioate CAS Name: 2-ethyl-5-methyl-4-nitro-3-pyrazolecarbothioic acid S-[4-(trifluoromethyl)phenyl] ester IUPAC Name: S-[4-(trifluoromethyl)phenyl] 2-ethyl-5-methyl-4-nitropyrazole-3-carbothioate Traditional Name: 2-ethyl-5-methyl-4-nitro-pyrazole-3-carbothioic acid S-[4-(trifluoromethyl)phenyl] ester Formula: C14H12F3N3O3S MolecularWeight: 359.32359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12F3N3O3S/c1-3-19-12(11(20(22)23)8(2)18-19)13(21)24-10-6-4-9(5-7-10)14(15,16)17/h4-7H,3H2,1-2H3