1-[3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(4-fluorophenyl)-3-[4-(methylthio)phenyl]-2-pyrazolin-1-yl]ethanone Formula: C18H17FN2OS MolecularWeight: 328.403783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2OS/c1-12(22)21-18(14-3-7-15(19)8-4-14)11-17(20-21)13-5-9-16(23-2)10-6-13/h3-10,18H,11H2,1-2H3