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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(prop-2-enylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-[(allylamino)methylene]-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(prop-2-enylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(prop-2-enylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4-[(allylamino)methylene]-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C15H11F3N4OS MolecularWeight: 352.33425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N4OS/c1-2-7-19-8-9-12(15(16,17)18)21-22(13(9)23)14-20-10-5-3-4-6-11(10)24-14/h2-6,8,19H,1,7H2