ethyl 1-(4-fluoranyl-2-nitro-phenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-fluoranyl-2-nitro-phenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-fluoro-2-nitro-phenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-fluoro-2-nitrophenyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluoro-2-nitrophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C19H16FN3O4S MolecularWeight: 401.411443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O4S/c1-3-27-19(24)15-11-17(12-4-7-14(28-2)8-5-12)22(21-15)16-9-6-13(20)10-18(16)23(25)26/h4-11H,3H2,1-2H3