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

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-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-[(2-nitrophenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-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-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C25H23ClN4O5S MolecularWeight: 526.99192

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

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC3=C(C(=NN3C(C)(C)C)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H23ClN4O5S/c1-14-22(36-19-13-9-8-12-18(19)30(32)33)23(29(27-14)25(3,4)5)34-24(31)20-15(2)35-28-21(20)16-10-6-7-11-17(16)26/h6-13H,1-5H3