S-[2,4-bis(fluoranyl)phenyl] 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate

Systemtic Name: S-[2,4-bis(fluoranyl)phenyl] 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-(2,4-difluorophenyl) 1,5-dimethyl-4-nitro-pyrazole-3-carbothioate CAS Name: 1,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-(2,4-difluorophenyl) ester IUPAC Name: S-(2,4-difluorophenyl) 1,5-dimethyl-4-nitropyrazole-3-carbothioate Traditional Name: 1,5-dimethyl-4-nitro-pyrazole-3-carbothioic acid S-(2,4-difluorophenyl) ester Formula: C12H9F2N3O3S MolecularWeight: 313.279966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9F2N3O3S/c1-6-11(17(19)20)10(15-16(6)2)12(18)21-9-4-3-7(13)5-8(9)14/h3-5H,1-2H3