(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=C(C(=NN3C(C)(C)C)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=C(C(=NN3C(C)(C)C)C)SC4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O3S/c1-15-22(33-17-11-7-6-8-12-17)23(29(27-15)25(3,4)5)31-24(30)20-16(2)32-28-21(20)18-13-9-10-14-19(18)26/h6-14H,1-5H3