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4-Amino-3-(2-p-chlorophenyl-2-oxo-ethylsulfanyl)-6-p-methoxyphenyl-4H-[1,2,4]triazin-5-one
SpectraBase Compound ID 6x7owIEdwQT
InChI InChI=1S/C18H15ClN4O3S/c1-26-14-8-4-12(5-9-14)16-17(25)23(20)18(22-21-16)27-10-15(24)11-2-6-13(19)7-3-11/h2-9H,10,20H2,1H3
InChIKey ALAUXGJJWFQZOY-UHFFFAOYSA-N
Mol Weight 402.86 g/mol
Molecular Formula C18H15ClN4O3S
Exact Mass 402.055339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7k0ruEBEB6z
Name 4-Amino-3-(2-p-chlorophenyl-2-oxo-ethylsulfanyl)-6-p-methoxyphenyl-4H-[1,2,4]triazin-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClN4O3S
InChI InChI=1S/C18H15ClN4O3S/c1-26-14-8-4-12(5-9-14)16-17(25)23(20)18(22-21-16)27-10-15(24)11-2-6-13(19)7-3-11/h2-9H,10,20H2,1H3
InChIKey ALAUXGJJWFQZOY-UHFFFAOYSA-N
Molecular Weight 402.856 g/mol
SMILES NN1C(C(c2ccc(cc2)OC)=NN=C1SCC(c1ccc(cc1)Cl)=O)=O
SPLASH splash10-0udi-0000900000-358ea0deec369b7804ee
Source of Spectrum F-67-6271-23k
Synonyms 4-amino-3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-1,2,4-triazin-5-one 4-amino-3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)-1,2,4-triazin-5-one 4-amino-3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)-1,2,4-triazin-5-one 4-azanyl-3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)-1,2,4-triazin-5-one
Wiley ID 1687549