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({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}sulfanyl)acetic acid
SpectraBase Compound ID 41iHhmAb8z2
InChI InChI=1S/C15H10F3N3O3S2/c1-7(25-6-10(22)23)11-12(15(16,17)18)20-21(13(11)24)14-19-8-4-2-3-5-9(8)26-14/h2-5H,6H2,1H3,(H,22,23)/b11-7-
InChIKey LGPBGRKBHQMCHG-XFFZJAGNSA-N
Mol Weight 401.38 g/mol
Molecular Formula C15H10F3N3O3S2
Exact Mass 401.011568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Kse9FFbFOt
Name ({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}sulfanyl)acetic acid
Alternate Name(s) ({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}sulfanyl)acetic acid [1-(1-benzothiazol-2-yl-5-oxo-3-trifluoromethyl-1,5-dihydro-pyrazol-4-ylidene)-ethylsulfanyl]-acetic acid 2-[[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4-pyrazolylidene]ethyl]thio]acetic acid 2-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]sulfanylacetic acid 2-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]sulfanylethanoic acid
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Formula C15H10F3N3O3S2
InChI InChI=1S/C15H10F3N3O3S2/c1-7(25-6-10(22)23)11-12(15(16,17)18)20-21(13(11)24)14-19-8-4-2-3-5-9(8)26-14/h2-5H,6H2,1H3,(H,22,23)/b11-7-
InChIKey LGPBGRKBHQMCHG-XFFZJAGNSA-N
Molecular Weight 401.378 g/mol
SMILES OC(=O)CS\C(=C\1C(=NN(C1=O)c1sc2ccccc2n1)C(F)(F)F)C
SPLASH splash10-03di-3419000000-c55bf8b6aa71332b1ba2
Wiley ID 1438667