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

Systemtic Name: methyl 2-[5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl]oxyethanoate Openeye Name: methyl 2-[5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl]oxyacetate CAS Name: 2-[[5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-3-pyrazolyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl]oxyacetate Traditional Name: 2-[5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl]oxyacetic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-13-18(28-16-10-8-15(9-11-16)22(24)25)19(27-12-17(23)26-2)21(20-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3