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3-Benzyl-7-(2-oxo-2H-chromen-3-yl)-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-one
SpectraBase Compound ID 3YbrWaRfdYY
InChI InChI=1S/C21H14N4O3S/c26-19-16(10-13-6-2-1-3-7-13)22-23-21-25(19)24-17(12-29-21)15-11-14-8-4-5-9-18(14)28-20(15)27/h1-9,11H,10,12H2
InChIKey NKBWVGYWXMHDLT-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C21H14N4O3S
Exact Mass 402.078661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Hhx90OPwxv
Name 3-Benzyl-7-(2-oxo-2H-chromen-3-yl)-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N4O3S
InChI InChI=1S/C21H14N4O3S/c26-19-16(10-13-6-2-1-3-7-13)22-23-21-25(19)24-17(12-29-21)15-11-14-8-4-5-9-18(14)28-20(15)27/h1-9,11H,10,12H2
InChIKey NKBWVGYWXMHDLT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000263
Molecular Weight 402.428 g/mol
SMILES C=12SCC(=NN2C(C(=NN1)Cc1ccccc1)=O)C=1C(Oc2ccccc2C1)=O
SPLASH splash10-014i-5900000000-30c23f2288b01f0111a7
Source of Spectrum APC-344-717-23
Synonyms 7-(2-oxo-1-benzopyran-3-yl)-3-(phenylmethyl)-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 3-Benzyl-7-(2-oxochromen-3-yl)-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 7-(2-oxidanylidenechromen-3-yl)-3-(phenylmethyl)-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
Wiley ID 1769170