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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-methylpropanoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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-methylpropanoate Traditional Name: 2-methylpropionic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-13(2)20(24)27-19-18(28-17-12-8-7-11-16(17)23(25)26)14(3)21-22(19)15-9-5-4-6-10-15/h4-13H,1-3H3