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1-(p-Nitrophenyl)-3-(thiophen-2'-yl)-7-(phenylamino)-1,2,4-triazolo[4,3-a]pyrimidin-5-one
SpectraBase Compound ID KRkK63eBgTc
InChI InChI=1S/C21H14N6O3S/c28-19-13-18(22-14-5-2-1-3-6-14)23-21-25(19)20(17-7-4-12-31-17)24-26(21)15-8-10-16(11-9-15)27(29)30/h1-13,22H
InChIKey GSFRXERRIQSDBF-UHFFFAOYSA-N
Mol Weight 430.44 g/mol
Molecular Formula C21H14N6O3S
Exact Mass 430.08481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jp2l7Rf8wQR
Name 1-(p-Nitrophenyl)-3-(thiophen-2'-yl)-7-(phenylamino)-1,2,4-triazolo[4,3-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N6O3S
InChI InChI=1S/C21H14N6O3S/c28-19-13-18(22-14-5-2-1-3-6-14)23-21-25(19)20(17-7-4-12-31-17)24-26(21)15-8-10-16(11-9-15)27(29)30/h1-13,22H
InChIKey GSFRXERRIQSDBF-UHFFFAOYSA-N
Molecular Weight 430.442 g/mol
SMILES N(C1=CC(N2C(N(c3ccc(N(=O)=O)cc3)N=C2c2sccc2)=N1)=O)c1ccccc1
SPLASH splash10-001i-1221900000-454b40907278754cf600
Source of Spectrum H-86-746-20
Synonyms 7-Anilino-1-(4-nitrophenyl)-3-(2-thienyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Wiley ID 1525378