[5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-2-phenyl-pyrazol-3-yl] 4-nitrobenzoate

Systemtic Name: [5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-2-phenyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C23H12F5N3O4S MolecularWeight: 521.416096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H12F5N3O4S/c1-11-20(36-21-18(27)16(25)15(24)17(26)19(21)28)22(30(29-11)13-5-3-2-4-6-13)35-23(32)12-7-9-14(10-8-12)31(33)34/h2-10H,1H3