(3E)-8-fluoranyl-3-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]thiochromen-4-one

Systemtic Name: (3E)-8-fluoranyl-3-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]thiochromen-4-one Openeye Name: (3E)-3-[(1-benzylpyrazol-4-yl)methylene]-8-fluoro-thiochroman-4-one CAS Name: (3E)-8-fluoro-3-[[1-(phenylmethyl)-4-pyrazolyl]methylidene]-1-benzothiopyran-4-one IUPAC Name: (3E)-3-[(1-benzylpyrazol-4-yl)methylidene]-8-fluorothiochromen-4-one Traditional Name: (3E)-3-[(1-benzylpyrazol-4-yl)methylene]-8-fluoro-thiochroman-4-one Formula: C20H15FN2OS MolecularWeight: 350.409303

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CN(N=C2)CC3=CC=CC=C3)C(=O)C4=C(S1)C(=CC=C4)F

Isomeric SMILES

C1/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C(=O)C4=C(S1)C(=CC=C4)F

InChI

InChI=1S/C20H15FN2OS/c21-18-8-4-7-17-19(24)16(13-25-20(17)18)9-15-10-22-23(12-15)11-14-5-2-1-3-6-14/h1-10,12H,11,13H2/b16-9-