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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C16H14F3N3O2S MolecularWeight: 369.36147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O2S/c1-3-10(24-4-2)12-13(16(17,18)19)21-22(14(12)23)15-20-9-7-5-6-8-11(9)25-15/h5-8H,3-4H2,1-2H3