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3-(4-chlorobenzyl)-6-(4-nitrophenyl)-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one

View entire compound with spectra: 1 MS (GC)

3-(4-chlorobenzyl)-6-(4-nitrophenyl)-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
SpectraBase Compound ID DhgtoiBBocX
InChI InChI=1S/C18H11ClN4O3S/c19-13-5-1-11(2-6-13)9-15-17(24)22-16(10-27-18(22)21-20-15)12-3-7-14(8-4-12)23(25)26/h1-8,10H,9H2
InChIKey CQJQWPCMMRIARJ-UHFFFAOYSA-N
Mol Weight 398.82 g/mol
Molecular Formula C18H11ClN4O3S
Exact Mass 398.024039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJ7pftNOgwb
Name 3-(4-chlorobenzyl)-6-(4-nitrophenyl)-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H11ClN4O3S
InChI InChI=1S/C18H11ClN4O3S/c19-13-5-1-11(2-6-13)9-15-17(24)22-16(10-27-18(22)21-20-15)12-3-7-14(8-4-12)23(25)26/h1-8,10H,9H2
InChIKey CQJQWPCMMRIARJ-UHFFFAOYSA-N
Molecular Weight 398.824 g/mol
SMILES C1(N2C(=NN=C1Cc1ccc(cc1)Cl)SC=C2c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0002-0009000000-cee8f1e0804f0518962f
Source of Spectrum F2-45-5041-8d
Synonyms 3-[(4-chlorophenyl)methyl]-6-(4-nitrophenyl)-4-thiazolo[2,3-c][1,2,4]triazinone 3-[(4-chlorophenyl)methyl]-6-(4-nitrophenyl)thiazolo[2,3-c][1,2,4]triazin-4-one 3-[(4-chlorophenyl)methyl]-6-(4-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
Wiley ID 1703659