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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C21H14BrClN2O3S MolecularWeight: 489.76946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H14BrClN2O3S/c1-13-19(29-16-9-7-14(23)8-10-16)20(25(24-13)15-5-3-2-4-6-15)28-21(26)17-11-12-18(22)27-17/h2-12H,1H3