2-(3-ethanoylsulfanylpropanoyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-5-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-5-(4-fluorophenyl)-2-pyrazoline-3-carboxylic acid Formula: C15H15FN2O4S MolecularWeight: 338.354003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C15H15FN2O4S/c1-9(19)23-7-6-14(20)18-13(15(21)22)8-12(17-18)10-2-4-11(16)5-3-10/h2-5,13H,6-8H2,1H3,(H,21,22)