2-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

Systemtic Name: 2-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol Openeye Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol CAS Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol IUPAC Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol Traditional Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-3-ol Formula: C17H10F4N4O3S MolecularWeight: 426.344913

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C2=NC3=C(S2)C=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C2=NC3=C(S2)C=C(C=C3)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10F4N4O3S/c18-10-3-6-12-14(7-10)29-15(22-12)24-16(26,17(19,20)21)8-13(23-24)9-1-4-11(5-2-9)25(27)28/h1-7,26H,8H2