[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,2-dimethylpropanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-14-18(29-17-13-9-8-12-16(17)24(26)27)19(28-20(25)21(2,3)4)23(22-14)15-10-6-5-7-11-15/h5-13H,1-4H3