ethyl 1-[2,5-bis(fluoranyl)phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[2,5-bis(fluoranyl)phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(2,5-difluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-(2,5-difluorophenyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5-difluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(2,5-difluorophenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C19H16F2N2O2S MolecularWeight: 374.404346

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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=CC(=C3)F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C19H16F2N2O2S/c1-3-25-19(24)16-11-17(12-4-7-14(26-2)8-5-12)23(22-16)18-10-13(20)6-9-15(18)21/h4-11H,3H2,1-2H3