3-butan-2-yl-6-fluoranyl-5-[4-oxidanylidene-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-1,3-benzothiazol-2-one

Systemtic Name: 3-butan-2-yl-6-fluoranyl-5-[4-oxidanylidene-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-1,3-benzothiazol-2-one Openeye Name: 6-fluoro-5-[4-oxo-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-3-sec-butyl-1,3-benzothiazol-2-one CAS Name: 3-butan-2-yl-6-fluoro-5-[4-oxo-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-1,3-benzothiazol-2-one IUPAC Name: 3-butan-2-yl-6-fluoro-5-[4-oxo-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-1,3-benzothiazol-2-one Traditional Name: 6-fluoro-5-[4-keto-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-3-sec-butyl-1,3-benzothiazol-2-one Formula: C16H13F4N3O2S2 MolecularWeight: 419.416933

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=CC(=C(C=C2SC1=O)F)N3C(=O)C=C(NC3=S)C(F)(F)F

Isomeric SMILES

CCC(C)N1C2=CC(=C(C=C2SC1=O)F)N3C(=O)C=C(NC3=S)C(F)(F)F

InChI

InChI=1S/C16H13F4N3O2S2/c1-3-7(2)22-10-5-9(8(17)4-11(10)27-15(22)25)23-13(24)6-12(16(18,19)20)21-14(23)26/h4-7H,3H2,1-2H3,(H,21,26)