4-[cyclopentyl-[4-nitro-3-(trifluoromethyl)phenyl]-pyridin-2-ylsulfanyl-methyl]-2-fluoranyl-1,3-thiazole

Systemtic Name: 4-[cyclopentyl-[4-nitro-3-(trifluoromethyl)phenyl]-pyridin-2-ylsulfanyl-methyl]-2-fluoranyl-1,3-thiazole Openeye Name: 4-[cyclopentyl-[4-nitro-3-(trifluoromethyl)phenyl]-(2-pyridylsulfanyl)methyl]-2-fluoro-thiazole CAS Name: 4-[cyclopentyl-[4-nitro-3-(trifluoromethyl)phenyl]-(2-pyridinylthio)methyl]-2-fluorothiazole IUPAC Name: 4-[cyclopentyl-[4-nitro-3-(trifluoromethyl)phenyl]-pyridin-2-ylsulfanylmethyl]-2-fluoro-1,3-thiazole Traditional Name: 4-[cyclopentyl-[4-nitro-3-(trifluoromethyl)phenyl]-(2-pyridylthio)methyl]-2-fluoro-thiazole Formula: C21H17F4N3O2S2 MolecularWeight: 483.502193

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)(C3=CSC(=N3)F)SC4=CC=CC=N4

Isomeric SMILES

C1CCC(C1)C(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)(C3=CSC(=N3)F)SC4=CC=CC=N4

InChI

InChI=1S/C21H17F4N3O2S2/c22-19-27-17(12-31-19)20(13-5-1-2-6-13,32-18-7-3-4-10-26-18)14-8-9-16(28(29)30)15(11-14)21(23,24)25/h3-4,7-13H,1-2,5-6H2