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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-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 [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H20ClN3O3S MolecularWeight: 501.984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=CC=C5

InChI

InChI=1S/C27H20ClN3O3S/c1-17-25(35-20-13-7-4-8-14-20)26(31(29-17)19-11-5-3-6-12-19)33-27(32)23-18(2)34-30-24(23)21-15-9-10-16-22(21)28/h3-16H,1-2H3