2-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-5-[[(1-methyl-2-imidazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-fluorophenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-5-[[(1-methylimidazol-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C14H13FN4OS MolecularWeight: 304.342623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)N(N2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)N(N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H13FN4OS/c1-18-7-6-16-14(18)21-9-11-8-13(20)19(17-11)12-4-2-10(15)3-5-12/h2-8,17H,9H2,1H3