2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C15H13F3N4O2S MolecularWeight: 370.34953

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

Isomeric SMILES

COCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

InChI

InChI=1S/C15H13F3N4O2S/c1-24-7-6-19-8-9-12(15(16,17)18)21-22(13(9)23)14-20-10-4-2-3-5-11(10)25-14/h2-5,8,19H,6-7H2,1H3