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2-[[3-(4-chlorophenyl)-9-keto-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]thio]acetic acid ethyl ester
SpectraBase Compound ID AkrkR2Gmu0Z
InChI InChI=1S/C19H15ClN4O3S/c1-2-27-16(25)11-28-19-22-24-17(26)14-5-3-4-6-15(14)21-18(24)23(19)13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3
InChIKey SEHFXMRFAAFFLD-UHFFFAOYSA-N
Mol Weight 414.87 g/mol
Molecular Formula C19H15ClN4O3S
Exact Mass 414.055339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4TLqcWhGUK
Name 2-[[3-(4-chlorophenyl)-9-keto-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]thio]acetic acid ethyl ester
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Formula C19H15ClN4O3S
InChI InChI=1S/C19H15ClN4O3S/c1-2-27-16(25)11-28-19-22-24-17(26)14-5-3-4-6-15(14)21-18(24)23(19)13-9-7-12(20)8-10-13/h3-10H,2,11H2,1H3
InChIKey SEHFXMRFAAFFLD-UHFFFAOYSA-N
Molecular Weight 414.867 g/mol
SMILES C12=Nc3ccccc3C(N2N=C(N1c1ccc(cc1)Cl)SCC(=O)OCC)=O
SPLASH splash10-0wpi-0815900000-3468b5f5a39eb64a0fc7
Source of Spectrum K1-2004-3877-15
Synonyms 2-[[3-(4-chlorophenyl)-9-oxo-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]thio]acetic acid ethyl ester Ethyl 2-[[3-(4-chlorophenyl)-9-oxidanylidene-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]ethanoate Ethyl 2-[[3-(4-chlorophenyl)-9-oxo-[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl]acetate
Wiley ID 1561557