2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C19H19FN2O2S MolecularWeight: 358.429763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3)F

InChI

InChI=1S/C19H19FN2O2S/c1-24-18-8-7-14(11-16(18)20)12-25-13-19(23)22-10-9-17(21-22)15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3