[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-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-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C27H19ClN4O5S MolecularWeight: 546.98156

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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[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H19ClN4O5S/c1-16-25(38-22-15-9-8-14-21(22)32(34)35)26(31(29-16)18-10-4-3-5-11-18)36-27(33)23-17(2)37-30-24(23)19-12-6-7-13-20(19)28/h3-15H,1-2H3