[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C21H14BrN3O5S MolecularWeight: 500.32196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H14BrN3O5S/c1-13-19(31-17-10-6-5-9-15(17)25(27)28)20(24(23-13)14-7-3-2-4-8-14)30-21(26)16-11-12-18(22)29-16/h2-12H,1H3