[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C23H15F2N3O4S MolecularWeight: 467.444706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4

InChI

InChI=1S/C23H15F2N3O4S/c1-14-21(33-19-13-6-5-12-18(19)28(30)31)22(27(26-14)15-8-3-2-4-9-15)32-23(29)20-16(24)10-7-11-17(20)25/h2-13H,1H3