4-[(4-ethoxy-8-fluoranyl-2,5-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-ethoxy-8-fluoranyl-2,5-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(4-ethoxy-8-fluoro-2,5-dimethyl-thiochromane-6-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(4-ethoxy-8-fluoro-2,5-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(4-ethoxy-8-fluoro-2,5-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(4-ethoxy-8-fluoro-2,5-dimethyl-thiochroman-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C19H23FN2O3S MolecularWeight: 378.460923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)C(CC(S3)C)OCC)F

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C3C(=C2C)C(CC(S3)C)OCC)F

InChI

InChI=1S/C19H23FN2O3S/c1-5-22-19(24)13(9-21-22)17(23)12-8-14(20)18-16(11(12)4)15(25-6-2)7-10(3)26-18/h8-10,15,21H,5-7H2,1-4H3