ethyl 1-(4-fluorophenyl)-5-(5-methylsulfanylthiophen-2-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-5-(5-methylsulfanylthiophen-2-yl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-5-(5-methylsulfanyl-2-thienyl)pyrazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-[5-(methylthio)-2-thiophenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-5-(5-methylsulfanylthiophen-2-yl)pyrazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-[5-(methylthio)-2-thienyl]pyrazole-3-carboxylic acid ethyl ester Formula: C17H15FN2O2S2 MolecularWeight: 362.441603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(S2)SC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(S2)SC)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN2O2S2/c1-3-22-17(21)13-10-14(15-8-9-16(23-2)24-15)20(19-13)12-6-4-11(18)5-7-12/h4-10H,3H2,1-2H3