(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromanylfuran-2-carboxylate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromanylfuran-2-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O3S/c1-14-19(28-16-10-6-3-7-11-16)20(24(23-14)15-8-4-2-5-9-15)27-21(25)17-12-13-18(22)26-17/h2-13H,1H3