ethyl 2-(4-fluorophenyl)-3-methylsulfanyl-3-thiophen-2-yl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 2-(4-fluorophenyl)-3-methylsulfanyl-3-thiophen-2-yl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 2-(4-fluorophenyl)-3-methylsulfanyl-3-(2-thienyl)-1H-pyrazole-5-carboxylate CAS Name: 2-(4-fluorophenyl)-3-(methylthio)-3-thiophen-2-yl-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-fluorophenyl)-3-methylsulfanyl-3-thiophen-2-yl-1H-pyrazole-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(methylthio)-5-(2-thienyl)-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C17H17FN2O2S2 MolecularWeight: 364.457483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(N1)C2=CC=C(C=C2)F)(C3=CC=CS3)SC

Isomeric SMILES

CCOC(=O)C1=CC(N(N1)C2=CC=C(C=C2)F)(C3=CC=CS3)SC

InChI

InChI=1S/C17H17FN2O2S2/c1-3-22-16(21)14-11-17(23-2,15-5-4-10-24-15)20(19-14)13-8-6-12(18)7-9-13/h4-11,19H,3H2,1-2H3