[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-phenoxypropanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-phenoxypropanoate Openeye Name: [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanyl-pyrazol-3-yl] 2-phenoxypropanoate CAS Name: 2-phenoxypropanoic 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] 2-phenoxypropanoate Traditional Name: 2-phenoxypropionic acid [2-tert-butyl-5-methyl-4-[(2-nitrophenyl)thio]pyrazol-3-yl] ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C(C)OC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C(C)OC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H25N3O5S/c1-15-20(32-19-14-10-9-13-18(19)26(28)29)21(25(24-15)23(3,4)5)31-22(27)16(2)30-17-11-7-6-8-12-17/h6-14,16H,1-5H3