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N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-2-(4-sulfamoylanilino)acetimidoyl cyanide
SpectraBase Compound ID IAQiRDK9lCK
InChI InChI=1S/C20H19N7O4S/c1-13-18(20(29)27(26(13)2)15-6-4-3-5-7-15)25-24-17(12-21)19(28)23-14-8-10-16(11-9-14)32(22,30)31/h3-11,25H,1-2H3,(H,23,28)(H2,22,30,31)
InChIKey OXGXTWZDEVJULY-UHFFFAOYSA-N
Mol Weight 453.48 g/mol
Molecular Formula C20H19N7O4S
Exact Mass 453.121923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbHwvKkcTmL
Name N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-2-(4-sulfamoylanilino)acetimidoyl cyanide
Appearance Reddish-brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N7O4S
InChI InChI=1S/C20H19N7O4S/c1-13-18(20(29)27(26(13)2)15-6-4-3-5-7-15)25-24-17(12-21)19(28)23-14-8-10-16(11-9-14)32(22,30)31/h3-11,25H,1-2H3,(H,23,28)(H2,22,30,31)
InChIKey OXGXTWZDEVJULY-UHFFFAOYSA-N
Instrument Name JEOL-JMS 600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2576
Molecular Weight 453.477 g/mol
SMILES N(N=C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C#N)C=1C(N(N(C1C)C)c1ccccc1)=O
SPLASH splash10-05g0-7900000000-d7e9597c8abc89afaab1
Source of Spectrum Y-54-275-38
Wiley ID 1877809