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5-[6'-Chloro-4'-(5"-mercapto[(1,3,4)-oxadiazol-2''-yl)pyridin-2'-ylamino]-isoindole-1,3-dione
SpectraBase Compound ID 8Mmt596Qgpl
InChI InChI=1S/C15H8ClN5O3S/c16-10-5-7(12-18-19-15(25)24-12)6-11(17-10)20-21-13(22)8-3-1-2-4-9(8)14(21)23/h1-6H,(H,17,20)(H,19,25)
InChIKey HWIOSWAUGZXOPJ-UHFFFAOYSA-N
Mol Weight 373.77 g/mol
Molecular Formula C15H8ClN5O3S
Exact Mass 373.003638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOjZdAhi9oK
Name 5-[6'-Chloro-4'-(5"-mercapto[(1,3,4)-oxadiazol-2''-yl)pyridin-2'-ylamino]-isoindole-1,3-dione
Alternate Name(s) 2-[[6-chloro-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]isoindole-1,3-dione 2-[[6-chloro-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-yl]amino]isoindole-1,3-dione 2-[[6-chloro-4-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridyl]amino]isoindoline-1,3-dione 2-[[6-chloranyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-yl]amino]isoindole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C15H8ClN5O3S
InChI InChI=1S/C15H8ClN5O3S/c16-10-5-7(12-18-19-15(25)24-12)6-11(17-10)20-21-13(22)8-3-1-2-4-9(8)14(21)23/h1-6H,(H,17,20)(H,19,25)
InChIKey HWIOSWAUGZXOPJ-UHFFFAOYSA-N
Molecular Weight 373.774 g/mol
SMILES N(N1C(c2ccccc2C1=O)=O)c1cc(C2=NNC(O2)=S)cc(n1)Cl
SPLASH splash10-03di-0009000000-e3de290ced1d936e4743
Source of Spectrum AH-139-1496-10
Wiley ID 1695934