6-fluoranyl-2-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole

Systemtic Name: 6-fluoranyl-2-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole Openeye Name: 6-fluoro-2-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole CAS Name: 6-fluoro-2-[5-(4-nitrophenyl)-3-(trifluoromethyl)-1-pyrazolyl]-1,3-benzothiazole IUPAC Name: 6-fluoro-2-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole Traditional Name: 6-fluoro-2-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole Formula: C17H8F4N4O2S MolecularWeight: 408.329633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NN2C3=NC4=C(S3)C=C(C=C4)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NN2C3=NC4=C(S3)C=C(C=C4)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H8F4N4O2S/c18-10-3-6-12-14(7-10)28-16(22-12)24-13(8-15(23-24)17(19,20)21)9-1-4-11(5-2-9)25(26)27/h1-8H