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acetic acid, [[2-[(phenylmethyl)thio]-4-quinazolinyl]thio]-
SpectraBase Compound ID 5JFyMq719TS
InChI InChI=1S/C17H14N2O2S2/c20-15(21)11-22-16-13-8-4-5-9-14(13)18-17(19-16)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKey HLDLEGJNNPTFKH-UHFFFAOYSA-N
Mol Weight 342.43 g/mol
Molecular Formula C17H14N2O2S2
Exact Mass 342.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcdJioISGu0
Name 2-(2-benzylsulfanylquinazolin-4-yl)sulfanylacetic acid
Alternate Name(s) 2-[2-(phenylmethylsulfanyl)quinazolin-4-yl]sulfanylethanoic acid 2-[[2-(benzylthio)quinazolin-4-yl]thio]acetic acid 2-[[2-(phenylmethylthio)-4-quinazolinyl]thio]acetic acid
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Formula C17H14N2O2S2
InChI InChI=1S/C17H14N2O2S2/c20-15(21)11-22-16-13-8-4-5-9-14(13)18-17(19-16)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChIKey HLDLEGJNNPTFKH-UHFFFAOYSA-N
Molecular Weight 342.431 g/mol
SMILES OC(CSc1nc(nc2ccccc12)SCc1ccccc1)=O
SPLASH splash10-0006-6941000000-5f24124f91446de0ec9c
Wiley ID 1450811