2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H8F3N3O2S MolecularWeight: 327.28173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F3N3O2S/c1-6(20)9-10(13(14,15)16)18-19(11(9)21)12-17-7-4-2-3-5-8(7)22-12/h2-5,18H,1H3