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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromanylfuran-2-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3S/c1-12-16(26-13-8-6-5-7-9-13)17(22(21-12)19(2,3)4)25-18(23)14-10-11-15(20)24-14/h5-11H,1-4H3