2-ethyl-4-[[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazole-5-carbonyl]-3-pyrazolin-3-one Formula: C15H12F3N3O2S MolecularWeight: 355.33489

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)SC(=N3)C(F)(F)F)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)SC(=N3)C(F)(F)F)C

InChI

InChI=1S/C15H12F3N3O2S/c1-3-21-13(23)9(6-19-21)12(22)8-4-5-10-11(7(8)2)20-14(24-10)15(16,17)18/h4-6,19H,3H2,1-2H3